1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide

C16H14N8O — CID 30765873

IUPAC1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccc(-n4cncn4)nc3)ccc21
InChIInChI=1S/C16H14N8O/c1-2-23-14-5-3-11(7-13(14)21-22-23)16(25)20-12-4-6-15(18-8-12)24-10-17-9-19-24/h3-10H,2H2,1H3,(H,20,25)
InChIKeyUYRJAYIVUIMZQO-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.68
Rot. Bonds4

About 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide

1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide (PubChem CID 30765873) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide
PubChem CID30765873
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccc(-n4cncn4)nc3)ccc21
InChIInChI=1S/C16H14N8O/c1-2-23-14-5-3-11(7-13(14)21-22-23)16(25)20-12-4-6-15(18-8-12)24-10-17-9-19-24/h3-10H,2H2,1H3,(H,20,25)
InChIKeyUYRJAYIVUIMZQO-UHFFFAOYSA-N
XLogP1.68
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
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CID 67501021
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1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-phenylurea
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1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methyl-1,2,4-triazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024120

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide (CID 30765873) is 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccc(-n4cncn4)nc3)ccc21.
What is the InChIKey of 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide?
The InChIKey is UYRJAYIVUIMZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-2-23-14-5-3-11(7-13(14)21-22-23)16(25)20-12-4-6-15(18-8-12)24-10-17-9-19-24/h3-10H,2H2,1H3,(H,20,25).
What are the key properties of 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide?
1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 30765873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).