5-amino-N,1-dibenzyltriazole-4-carboxamide

C17H17N5O — CID 562160

IUPAC5-amino-N,1-dibenzyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C17H17N5O/c18-16-15(17(23)19-11-13-7-3-1-4-8-13)20-21-22(16)12-14-9-5-2-6-10-14/h1-10H,11-12,18H2,(H,19,23)
InChIKeyGZIMZFHMSLGJTE-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.84
Rot. Bonds5

About 5-amino-N,1-dibenzyltriazole-4-carboxamide

5-amino-N,1-dibenzyltriazole-4-carboxamide (PubChem CID 562160) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-amino-N,1-dibenzyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,1-dibenzyltriazole-4-carboxamide
PubChem CID562160
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-amino-N,1-dibenzyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
InChIInChI=1S/C17H17N5O/c18-16-15(17(23)19-11-13-7-3-1-4-8-13)20-21-22(16)12-14-9-5-2-6-10-14/h1-10H,11-12,18H2,(H,19,23)
InChIKeyGZIMZFHMSLGJTE-UHFFFAOYSA-N
XLogP1.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,1-dibenzyltriazole-4-carboxamide?
The IUPAC name of 5-amino-N,1-dibenzyltriazole-4-carboxamide (CID 562160) is 5-amino-N,1-dibenzyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-N,1-dibenzyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-N,1-dibenzyltriazole-4-carboxamide is Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1.
What is the InChIKey of 5-amino-N,1-dibenzyltriazole-4-carboxamide?
The InChIKey is GZIMZFHMSLGJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-16-15(17(23)19-11-13-7-3-1-4-8-13)20-21-22(16)12-14-9-5-2-6-10-14/h1-10H,11-12,18H2,(H,19,23).
What are the key properties of 5-amino-N,1-dibenzyltriazole-4-carboxamide?
5-amino-N,1-dibenzyltriazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,1-dibenzyltriazole-4-carboxamide is sourced from PubChem (CID 562160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).