N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

C7H11N5O — CID 45116189

IUPACN-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCN1
InChIInChI=1S/C7H11N5O/c13-6(5-2-1-3-8-5)11-7-9-4-10-12-7/h4-5,8H,1-3H2,(H2,9,10,11,12,13)
InChIKeyYLQZPDNZKZLFGW-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.50
Rot. Bonds2

About N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 45116189) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID45116189
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC NameN-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCN1
InChIInChI=1S/C7H11N5O/c13-6(5-2-1-3-8-5)11-7-9-4-10-12-7/h4-5,8H,1-3H2,(H2,9,10,11,12,13)
InChIKeyYLQZPDNZKZLFGW-UHFFFAOYSA-N
XLogP-0.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 130628578
(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130653783
CID 88938252
CID 88938252
(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104913128
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
2,2-dimethyl-N-(1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxamide
CID 104918442
N-(4-ethyl-1H-pyrazol-5-yl)pyrrolidine-2-carboxamide
CID 104619250
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (CID 45116189) is N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ncn[nH]1)C1CCCN1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is YLQZPDNZKZLFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c13-6(5-2-1-3-8-5)11-7-9-4-10-12-7/h4-5,8H,1-3H2,(H2,9,10,11,12,13).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 181.20 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45116189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).