Name: Name:5-Tert-Butyl 4-Methyl 1-(Cyclopropylmethyl)-6,7-Dihydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-4,5(4H)-Dicarboxylate
Brand: Angene
SKU: AG00HX3M
Rating: 90 (10 reviews)

5-Tert-Butyl 4-Methyl 1-(Cyclopropylmethyl)-6,7-Dihydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-4,5(4H)-Dicarboxylate

CAS No.:

1445950-76-4

Catalog Number:

AG00HX3M

Molecular Formula:

C16H24N4O4

Molecular Weight:

336.3862

Catalog Number:

AG00HX3M

Chemical Name:

5-Tert-Butyl 4-Methyl 1-(Cyclopropylmethyl)-6,7-Dihydro-1H-[1,2,3]Triazolo[4,5-C]Pyridine-4,5(4H)-Dicarboxylate

CAS Number:

1445950-76-4

Molecular Formula:

C16H24N4O4

Molecular Weight:

336.3862

MDL Number:

MFCD25509328

IUPAC Name:

5-O-tert-butyl 4-O-methyl 1-(cyclopropylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-4,5-dicarboxylate

InChI:

InChI=1S/C16H24N4O4/c1-16(2,3)24-15(22)19-8-7-11-12(13(19)14(21)23-4)17-18-20(11)9-10-5-6-10/h10,13H,5-9H2,1-4H3

InChI Key:

JEHGJBCIXLHGHA-UHFFFAOYSA-N

SMILES:

COC(=O)C1N(CCc2c1nnn2CC1CC1)C(=O)OC(C)(C)C

Complexity:

503

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.392g/mol

Monoisotopic Mass:

336.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3