(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone

C14H16N4O — CID 114691891

IUPAC(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone
SMILESNC1(C(=O)c2cnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C14H16N4O/c15-14(8-4-5-9-14)13(19)12-10-16-17-18(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,15H2
InChIKeyXJEVOLJMCPMPMV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.72
Rot. Bonds3

About (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone

(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone (PubChem CID 114691891) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone
PubChem CID114691891
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone
SMILESNC1(C(=O)c2cnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C14H16N4O/c15-14(8-4-5-9-14)13(19)12-10-16-17-18(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,15H2
InChIKeyXJEVOLJMCPMPMV-UHFFFAOYSA-N
XLogP1.72
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopropyl)-(3-phenyltriazol-4-yl)methanone
CID 114692058
(1-amino-3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methanone
CID 114692082
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
(4-aminophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691795
1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
CID 114684542
(3,5-dibromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 107977415
(3-phenyltriazol-4-yl)-(thiolan-2-yl)methanone
CID 114686100
2-tert-butylsulfanyl-1-(3-phenyltriazol-4-yl)ethanone
CID 114685856
(3-amino-4-methylphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691816
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
2-(cyclohexen-1-yl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114686222
(3-amino-4-chlorophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114691830

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone (CID 114691891) is (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone is NC1(C(=O)c2cnnn2-c2ccccc2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone?
The InChIKey is XJEVOLJMCPMPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(8-4-5-9-14)13(19)12-10-16-17-18(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,15H2.
What are the key properties of (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone?
(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 114691891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).