N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide

C12H14N4O — CID 3148080

IUPACN-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(NC(=O)c1ncn[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O/c1-2-10(9-6-4-3-5-7-9)15-12(17)11-13-8-14-16-11/h3-8,10H,2H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyHLNPKURPMUVIAE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.69
Rot. Bonds4

About N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide

N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 3148080) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID3148080
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(NC(=O)c1ncn[nH]1)c1ccccc1
InChIInChI=1S/C12H14N4O/c1-2-10(9-6-4-3-5-7-9)15-12(17)11-13-8-14-16-11/h3-8,10H,2H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyHLNPKURPMUVIAE-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide (CID 3148080) is N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide is CCC(NC(=O)c1ncn[nH]1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HLNPKURPMUVIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10(9-6-4-3-5-7-9)15-12(17)11-13-8-14-16-11/h3-8,10H,2H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide?
N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 3148080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).