5-amino-2-phenyltriazole-4-carboxamide

C9H9N5O — CID 608927

IUPAC5-amino-2-phenyltriazole-4-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)nc1N
InChIInChI=1S/C9H9N5O/c10-8-7(9(11)15)12-14(13-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13)(H2,11,15)
InChIKeyLLMDNAOXHXCIOB-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.05
Rot. Bonds2

About 5-amino-2-phenyltriazole-4-carboxamide

5-amino-2-phenyltriazole-4-carboxamide (PubChem CID 608927) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 5-amino-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-phenyltriazole-4-carboxamide
PubChem CID608927
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name5-amino-2-phenyltriazole-4-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)nc1N
InChIInChI=1S/C9H9N5O/c10-8-7(9(11)15)12-14(13-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13)(H2,11,15)
InChIKeyLLMDNAOXHXCIOB-UHFFFAOYSA-N
XLogP-0.05
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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CID 723733
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-2-phenyltriazole-4-carboxamide (CID 608927) is 5-amino-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-2-phenyltriazole-4-carboxamide is NC(=O)c1nn(-c2ccccc2)nc1N.
What is the InChIKey of 5-amino-2-phenyltriazole-4-carboxamide?
The InChIKey is LLMDNAOXHXCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-7(9(11)15)12-14(13-8)6-4-2-1-3-5-6/h1-5H,(H2,10,13)(H2,11,15).
What are the key properties of 5-amino-2-phenyltriazole-4-carboxamide?
5-amino-2-phenyltriazole-4-carboxamide has a molecular weight of 203.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 608927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).