N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide

C16H16N4O — CID 115532708

IUPACN-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-2-10-19(12-13-8-9-13)16(21)15-11-17-20(18-15)14-6-4-3-5-7-14/h1,3-7,11,13H,8-10,12H2
InChIKeyNAVKBYOJJGDLOA-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.75
Rot. Bonds5

About N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide

N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide (PubChem CID 115532708) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide
PubChem CID115532708
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-2-10-19(12-13-8-9-13)16(21)15-11-17-20(18-15)14-6-4-3-5-7-14/h1,3-7,11,13H,8-10,12H2
InChIKeyNAVKBYOJJGDLOA-UHFFFAOYSA-N
XLogP1.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-phenyltriazole-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271201
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
CID 115532611
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
1-(2-phenyltriazol-4-yl)pent-4-yn-1-one
CID 105100786
N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 115532694
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N-methyl-N-(2-methylcyclohexyl)-2-phenyltriazole-4-carboxamide
CID 134004188
N-ethyl-N-(3-hydroxypropyl)-2-phenyltriazole-4-carboxamide
CID 115771807
N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
CID 115532473
1-(2-phenyltriazol-4-yl)hex-5-yn-1-one
CID 105127556
N-hex-5-ynyl-2-phenyltriazole-4-carboxamide
CID 103758153

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide (CID 115532708) is N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide is C#CCN(CC1CC1)C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide?
The InChIKey is NAVKBYOJJGDLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-10-19(12-13-8-9-13)16(21)15-11-17-20(18-15)14-6-4-3-5-7-14/h1,3-7,11,13H,8-10,12H2.
What are the key properties of N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide?
N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-phenyl-N-prop-2-ynyltriazole-4-carboxamide is sourced from PubChem (CID 115532708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).