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

C14H17N5O — CID 43706680

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C14H17N5O/c1-19-9-16-18-13(19)10-5-2-3-6-11(10)17-14(20)12-7-4-8-15-12/h2-3,5-6,9,12,15H,4,7-8H2,1H3,(H,17,20)
InChIKeyMUOXWIDZEODUFS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.17
Rot. Bonds3

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43706680) 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-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID43706680
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCn1cnnc1-c1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C14H17N5O/c1-19-9-16-18-13(19)10-5-2-3-6-11(10)17-14(20)12-7-4-8-15-12/h2-3,5-6,9,12,15H,4,7-8H2,1H3,(H,17,20)
InChIKeyMUOXWIDZEODUFS-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
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]pyrrolidine-3-carboxamide
CID 63007220
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43701124
(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 43706680) is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide is Cn1cnnc1-c1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is MUOXWIDZEODUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-9-16-18-13(19)10-5-2-3-6-11(10)17-14(20)12-7-4-8-15-12/h2-3,5-6,9,12,15H,4,7-8H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.17, 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-2-carboxamide is sourced from PubChem (CID 43706680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).