Name: Name:Cis-Di-Tert-Butyl 5A,6,8,8A-Tetrahydropyrrolo[3,4:3,4]Pyrrolo[2,1-C][1,2,4]Triazole-3,7(5H)-Dicarboxylate
Brand: Angene
SKU: AG00HSRO
Rating: 90 (10 reviews)

Cis-Di-Tert-Butyl 5A,6,8,8A-Tetrahydropyrrolo[3,4:3,4]Pyrrolo[2,1-C][1,2,4]Triazole-3,7(5H)-Dicarboxylate

CAS No.:

1330764-67-4

Catalog Number:

AG00HSRO

Molecular Formula:

C17H26N4O4

Molecular Weight:

350.4127

Catalog Number:

AG00HSRO

Chemical Name:

Cis-Di-Tert-Butyl 5A,6,8,8A-Tetrahydropyrrolo[3,4:3,4]Pyrrolo[2,1-C][1,2,4]Triazole-3,7(5H)-Dicarboxylate

CAS Number:

1330764-67-4

Molecular Formula:

C17H26N4O4

Molecular Weight:

350.4127

MDL Number:

MFCD31807137

IUPAC Name:

ditert-butyl (1R,8R)-3,4,6,10-tetrazatricyclo[6.3.0.02,6]undeca-2,4-diene-5,10-dicarboxylate

InChI:

InChI=1S/C17H26N4O4/c1-16(2,3)24-14(22)13-19-18-12-11-9-20(7-10(11)8-21(12)13)15(23)25-17(4,5)6/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1

InChI Key:

MNSOYCRJVLPDAH-QWRGUYRKSA-N

SMILES:

O=C(N1C[C@@H]2[C@H](C1)c1n(C2)c(nn1)C(=O)OC(C)(C)C)OC(C)(C)C

Complexity:

554

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

350.195g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

350.419g/mol

Monoisotopic Mass:

350.195g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3