N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C13H16ClN5O — CID 71942875

IUPACN-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-n2cncn2)cc1)C1CCCN1
InChIInChI=1S/C13H15N5O.ClH/c19-13(12-2-1-7-15-12)17-10-3-5-11(6-4-10)18-9-14-8-16-18;/h3-6,8-9,12,15H,1-2,7H2,(H,17,19);1H
InChIKeyYJZIWERXRGRXAT-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.38
Rot. Bonds3

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

N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 71942875) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID71942875
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-n2cncn2)cc1)C1CCCN1
InChIInChI=1S/C13H15N5O.ClH/c19-13(12-2-1-7-15-12)17-10-3-5-11(6-4-10)18-9-14-8-16-18;/h3-6,8-9,12,15H,1-2,7H2,(H,17,19);1H
InChIKeyYJZIWERXRGRXAT-UHFFFAOYSA-N
XLogP1.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 107067553
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171
(2S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 61165185
(2R)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 103813532
(2S)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 61169536
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385
(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809386
N-(4-pyrimidin-5-ylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328472
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide
CID 64822786
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 71942875) is N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-n2cncn2)cc1)C1CCCN1.
What is the InChIKey of N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YJZIWERXRGRXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O.ClH/c19-13(12-2-1-7-15-12)17-10-3-5-11(6-4-10)18-9-14-8-16-18;/h3-6,8-9,12,15H,1-2,7H2,(H,17,19);1H.
What are the key properties of N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 293.76 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 71942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).