ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate

C15H13N7O2 — CID 110455410

IUPACethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2cccc(-n3nnc4ccccc43)n2n1
InChIInChI=1S/C15H13N7O2/c1-2-24-15(23)17-14-16-12-8-5-9-13(22(12)19-14)21-11-7-4-3-6-10(11)18-20-21/h3-9H,2H2,1H3,(H,17,19,23)
InChIKeySUMZFLYLUXJBKQ-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.03
Rot. Bonds3

About ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate

ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 110455410) has the molecular formula C15H13N7O2 and a molecular weight of 323.32 g/mol. Its IUPAC name is ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID110455410
Molecular FormulaC15H13N7O2
Molecular Weight323.32 g/mol
Exact Mass323.11
IUPAC Nameethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2cccc(-n3nnc4ccccc43)n2n1
InChIInChI=1S/C15H13N7O2/c1-2-24-15(23)17-14-16-12-8-5-9-13(22(12)19-14)21-11-7-4-3-6-10(11)18-20-21/h3-9H,2H2,1H3,(H,17,19,23)
InChIKeySUMZFLYLUXJBKQ-UHFFFAOYSA-N
XLogP2.03
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
CID 110455631
methyl 2-[[2-(ethoxycarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-methylamino]acetate
CID 110455499
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
ethyl 2-amino-3-(benzotriazol-1-yl)benzoate
CID 115546749
ethyl 5-(benzotriazol-1-yl)thiadiazole-4-carboxylate
CID 1499204
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
ethyl 4-(benzotriazol-1-yl)-1H-pyrrole-2-carboxylate
CID 11043346
2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 110455404
ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
CID 640772
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
ethyl 2-[[5-amino-6-(benzotriazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19154268
ethyl 4-(benzotriazol-1-yl)-3-nitrobenzoate
CID 37158614

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (CID 110455410) is ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2cccc(-n3nnc4ccccc43)n2n1.
What is the InChIKey of ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is SUMZFLYLUXJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2/c1-2-24-15(23)17-14-16-12-8-5-9-13(22(12)19-14)21-11-7-4-3-6-10(11)18-20-21/h3-9H,2H2,1H3,(H,17,19,23).
What are the key properties of ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 323.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(benzotriazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 110455410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).