N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

C11H14ClN5O — CID 119280134

IUPACN-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2n[nH]nc2c1)C1CCCN1
InChIInChI=1S/C11H13N5O.ClH/c17-11(9-2-1-5-12-9)13-7-3-4-8-10(6-7)15-16-14-8;/h3-4,6,9,12H,1-2,5H2,(H,13,17)(H,14,15,16);1H
InChIKeyGCTKPLVZRIGRPX-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.07
Rot. Bonds2

About N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119280134) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119280134
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC NameN-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2n[nH]nc2c1)C1CCCN1
InChIInChI=1S/C11H13N5O.ClH/c17-11(9-2-1-5-12-9)13-7-3-4-8-10(6-7)15-16-14-8;/h3-4,6,9,12H,1-2,5H2,(H,13,17)(H,14,15,16);1H
InChIKeyGCTKPLVZRIGRPX-UHFFFAOYSA-N
XLogP1.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
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N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
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N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
2-(2H-benzotriazol-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974751
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
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CID 110481304

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119280134) is N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2n[nH]nc2c1)C1CCCN1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GCTKPLVZRIGRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O.ClH/c17-11(9-2-1-5-12-9)13-7-3-4-8-10(6-7)15-16-14-8;/h3-4,6,9,12H,1-2,5H2,(H,13,17)(H,14,15,16);1H.
What are the key properties of N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119280134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).