N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C9H13N5O — CID 131908976

IUPACN-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1cn[nH]n1)C1C=CCN1
InChIInChI=1S/C9H13N5O/c15-9(8-2-1-4-10-8)11-5-3-7-6-12-14-13-7/h1-2,6,8,10H,3-5H2,(H,11,15)(H,12,13,14)
InChIKeyQGAYTPJGRCKMIG-UHFFFAOYSA-N
MW207.24 g/mol
LogP-1.01
Rot. Bonds4

About N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 131908976) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID131908976
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1cn[nH]n1)C1C=CCN1
InChIInChI=1S/C9H13N5O/c15-9(8-2-1-4-10-8)11-5-3-7-6-12-14-13-7/h1-2,6,8,10H,3-5H2,(H,11,15)(H,12,13,14)
InChIKeyQGAYTPJGRCKMIG-UHFFFAOYSA-N
XLogP-1.01
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122570692
(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125435841
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910288
N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911446
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439858
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439859
(4aR,6S,8aR)-N-[2-(2H-triazol-4-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163333994
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910811
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 131204421
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 131908976) is N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is O=C(NCCc1cn[nH]n1)C1C=CCN1.
What is the InChIKey of N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is QGAYTPJGRCKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c15-9(8-2-1-4-10-8)11-5-3-7-6-12-14-13-7/h1-2,6,8,10H,3-5H2,(H,11,15)(H,12,13,14).
What are the key properties of N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-triazol-4-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 131908976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).