N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

C16H21N5O — CID 42692565

IUPACN,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C2CCN(C)C2)nn1-c1ccccc1
InChIInChI=1S/C16H21N5O/c1-12-17-15(18-21(12)13-7-5-4-6-8-13)16(22)20(3)14-9-10-19(2)11-14/h4-8,14H,9-11H2,1-3H3
InChIKeyPXNDFKUNZOLREY-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.35
Rot. Bonds3

About N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692565) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692565
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C2CCN(C)C2)nn1-c1ccccc1
InChIInChI=1S/C16H21N5O/c1-12-17-15(18-21(12)13-7-5-4-6-8-13)16(22)20(3)14-9-10-19(2)11-14/h4-8,14H,9-11H2,1-3H3
InChIKeyPXNDFKUNZOLREY-UHFFFAOYSA-N
XLogP1.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692565) is N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)C2CCN(C)C2)nn1-c1ccccc1.
What is the InChIKey of N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is PXNDFKUNZOLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-17-15(18-21(12)13-7-5-4-6-8-13)16(22)20(3)14-9-10-19(2)11-14/h4-8,14H,9-11H2,1-3H3.
What are the key properties of N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).