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

C11H13N5O — CID 110484935

IUPAC5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1n[nH]nc1N)c1ccccc1
InChIInChI=1S/C11H13N5O/c1-7(8-5-3-2-4-6-8)13-11(17)9-10(12)15-16-14-9/h2-7H,1H3,(H,13,17)(H3,12,14,15,16)
InChIKeyASBCHIAEELUPDR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.88
Rot. Bonds3

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

5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide (PubChem CID 110484935) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
PubChem CID110484935
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1n[nH]nc1N)c1ccccc1
InChIInChI=1S/C11H13N5O/c1-7(8-5-3-2-4-6-8)13-11(17)9-10(12)15-16-14-9/h2-7H,1H3,(H,13,17)(H3,12,14,15,16)
InChIKeyASBCHIAEELUPDR-UHFFFAOYSA-N
XLogP0.88
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoroanilino)-N-[(1R)-1-phenylethyl]-2H-triazole-4-carboxamide
CID 95183687
5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 50928986
4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 107863851
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
CID 91287100
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide (CID 110484935) is 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide is CC(NC(=O)c1n[nH]nc1N)c1ccccc1.
What is the InChIKey of 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
The InChIKey is ASBCHIAEELUPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(8-5-3-2-4-6-8)13-11(17)9-10(12)15-16-14-9/h2-7H,1H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide?
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).