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

C15H19N5O — CID 80507237

IUPACN-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
SMILESNC(CCNC(=O)c1n[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C15H19N5O/c16-12(10-4-2-1-3-5-10)8-9-17-15(21)14-18-13(19-20-14)11-6-7-11/h1-5,11-12H,6-9,16H2,(H,17,21)(H,18,19,20)
InChIKeyOABGCTGESLWUCX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.50
Rot. Bonds6

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

N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 80507237) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID80507237
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
SMILESNC(CCNC(=O)c1n[nH]c(C2CC2)n1)c1ccccc1
InChIInChI=1S/C15H19N5O/c16-12(10-4-2-1-3-5-10)8-9-17-15(21)14-18-13(19-20-14)11-6-7-11/h1-5,11-12H,6-9,16H2,(H,17,21)(H,18,19,20)
InChIKeyOABGCTGESLWUCX-UHFFFAOYSA-N
XLogP1.50
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(3-methylsulfanylbutyl)-1H-1,2,4-triazole-3-carboxamide
CID 113494223
5-cyclopropyl-N-(4-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 106137462
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
5-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 107854489
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496294
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709
1-[[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113310987
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide (CID 80507237) is N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide is NC(CCNC(=O)c1n[nH]c(C2CC2)n1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is OABGCTGESLWUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-12(10-4-2-1-3-5-10)8-9-17-15(21)14-18-13(19-20-14)11-6-7-11/h1-5,11-12H,6-9,16H2,(H,17,21)(H,18,19,20).
What are the key properties of N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide?
N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 80507237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).