3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

C15H19N5O — CID 62794697

IUPAC3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1ccc(CN(C(=O)c2nc(N)n[nH]2)C2CC2)cc1
InChIInChI=1S/C15H19N5O/c1-2-10-3-5-11(6-4-10)9-20(12-7-8-12)14(21)13-17-15(16)19-18-13/h3-6,12H,2,7-9H2,1H3,(H3,16,17,18,19)
InChIKeyLYMAPIHQNRNBKN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794697) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794697
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCc1ccc(CN(C(=O)c2nc(N)n[nH]2)C2CC2)cc1
InChIInChI=1S/C15H19N5O/c1-2-10-3-5-11(6-4-10)9-20(12-7-8-12)14(21)13-17-15(16)19-18-13/h3-6,12H,2,7-9H2,1H3,(H3,16,17,18,19)
InChIKeyLYMAPIHQNRNBKN-UHFFFAOYSA-N
XLogP1.75
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794179
3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115097
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
3-amino-N-cyclopentyl-N-prop-2-enyl-1H-1,2,4-triazole-5-carboxamide
CID 62793173
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65199839
3-amino-N-butyl-N-(1,1-dioxothiolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62794694
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methylpentanamide
CID 60938964
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 62794697) is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is CCc1ccc(CN(C(=O)c2nc(N)n[nH]2)C2CC2)cc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LYMAPIHQNRNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-10-3-5-11(6-4-10)9-20(12-7-8-12)14(21)13-17-15(16)19-18-13/h3-6,12H,2,7-9H2,1H3,(H3,16,17,18,19).
What are the key properties of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).