5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide

C15H19N5O — CID 115378987

IUPAC5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(C3CC3)n2)cc1N(C)C
InChIInChI=1S/C15H19N5O/c1-9-4-7-11(8-12(9)20(2)3)16-15(21)14-17-13(18-19-14)10-5-6-10/h4,7-8,10H,5-6H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyQFINBMAVGHTREJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.31
Rot. Bonds4

About 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 115378987) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID115378987
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(C3CC3)n2)cc1N(C)C
InChIInChI=1S/C15H19N5O/c1-9-4-7-11(8-12(9)20(2)3)16-15(21)14-17-13(18-19-14)10-5-6-10/h4,7-8,10H,5-6H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyQFINBMAVGHTREJ-UHFFFAOYSA-N
XLogP2.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide (CID 115378987) is 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c(C3CC3)n2)cc1N(C)C.
What is the InChIKey of 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is QFINBMAVGHTREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-4-7-11(8-12(9)20(2)3)16-15(21)14-17-13(18-19-14)10-5-6-10/h4,7-8,10H,5-6H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 115378987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).