2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

C14H22N4O — CID 56753499

IUPAC2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CC1C=CCC1
InChIInChI=1S/C14H22N4O/c1-11(2)18-10-15-16-13(18)9-17(3)14(19)8-12-6-4-5-7-12/h4,6,10-12H,5,7-9H2,1-3H3
InChIKeyWANRICQHICAVRU-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.17
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56753499) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56753499
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)n1cnnc1CN(C)C(=O)CC1C=CCC1
InChIInChI=1S/C14H22N4O/c1-11(2)18-10-15-16-13(18)9-17(3)14(19)8-12-6-4-5-7-12/h4,6,10-12H,5,7-9H2,1-3H3
InChIKeyWANRICQHICAVRU-UHFFFAOYSA-N
XLogP2.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 45824194
(1S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 95124272
(1S,6S)-6-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]cyclohex-3-ene-1-carboxamide
CID 164643058
cyclohex-3-en-1-yl(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 126470550
cyclohex-3-en-1-yl-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 45813099
2-Cyclopent-2-en-1-yl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 45815441
Cyclohex-3-en-1-yl-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 45815443
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47210667
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47210759
2-cyclopent-2-en-1-yl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51308003
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 52371733
2-[(1S)-cyclopent-2-en-1-yl]-1-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 52371734

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (CID 56753499) is 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is CC(C)n1cnnc1CN(C)C(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is WANRICQHICAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)18-10-15-16-13(18)9-17(3)14(19)8-12-6-4-5-7-12/h4,6,10-12H,5,7-9H2,1-3H3.
What are the key properties of 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56753499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).