3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide

C11H13N5O — CID 62807337

IUPAC3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C11H13N5O/c12-11-14-9(15-16-11)10(17)13-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H3,12,14,15,16)
InChIKeyUQEIPTAZZCHFAO-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.36
Rot. Bonds4

About 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807337) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807337
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C11H13N5O/c12-11-14-9(15-16-11)10(17)13-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H3,12,14,15,16)
InChIKeyUQEIPTAZZCHFAO-UHFFFAOYSA-N
XLogP0.36
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(3-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792683
3-amino-N-[2-(4-nitrophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793855
3-amino-N-[2-(3,5-difluorophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794046
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806802
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
3-amino-N-methyl-N-(3-phenylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115524
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
3-amino-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 63960581
3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807194
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 106236686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62807337) is 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UQEIPTAZZCHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11-14-9(15-16-11)10(17)13-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).