N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride

C6H11ClN6O — CID 131159805

IUPACN-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nn[nH]n1)C1CCNC1
InChIInChI=1S/C6H10N6O.ClH/c13-5(4-1-2-7-3-4)8-6-9-11-12-10-6;/h4,7H,1-3H2,(H2,8,9,10,11,12,13);1H
InChIKeyQIRZKBAIFNRXIG-UHFFFAOYSA-N
MW218.65 g/mol
LogP-0.83
Rot. Bonds2

About N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 131159805) has the molecular formula C6H11ClN6O and a molecular weight of 218.65 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID131159805
Molecular FormulaC6H11ClN6O
Molecular Weight218.65 g/mol
Exact Mass218.07
IUPAC NameN-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nn[nH]n1)C1CCNC1
InChIInChI=1S/C6H10N6O.ClH/c13-5(4-1-2-7-3-4)8-6-9-11-12-10-6;/h4,7H,1-3H2,(H2,8,9,10,11,12,13);1H
InChIKeyQIRZKBAIFNRXIG-UHFFFAOYSA-N
XLogP-0.83
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
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(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
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N-pyridin-4-ylpyrrolidine-3-carboxamide
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(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 104619200
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
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N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
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CID 94916867

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 131159805) is N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1nn[nH]n1)C1CCNC1.
What is the InChIKey of N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QIRZKBAIFNRXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O.ClH/c13-5(4-1-2-7-3-4)8-6-9-11-12-10-6;/h4,7H,1-3H2,(H2,8,9,10,11,12,13);1H.
What are the key properties of N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 218.65 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131159805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).