N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

C14H17N5O — CID 63007220

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C14H17N5O/c1-19-9-16-18-13(19)11-4-2-3-5-12(11)17-14(20)10-6-7-15-8-10/h2-5,9-10,15H,6-8H2,1H3,(H,17,20)
InChIKeyIXLTYICWKFOSGL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.03
Rot. Bonds3

About N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 63007220) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID63007220
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1CCNC1
InChIInChI=1S/C14H17N5O/c1-19-9-16-18-13(19)11-4-2-3-5-12(11)17-14(20)10-6-7-15-8-10/h2-5,9-10,15H,6-8H2,1H3,(H,17,20)
InChIKeyIXLTYICWKFOSGL-UHFFFAOYSA-N
XLogP1.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 131943131
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154912762
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 95245273
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 63007220) is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is Cn1cnnc1-c1ccccc1NC(=O)C1CCNC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IXLTYICWKFOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-9-16-18-13(19)11-4-2-3-5-12(11)17-14(20)10-6-7-15-8-10/h2-5,9-10,15H,6-8H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).