1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole

C14H17N3 — CID 118473657

IUPAC1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
SMILESCC1(c2ccccc2)CCCC1n1cncn1
InChIInChI=1S/C14H17N3/c1-14(12-6-3-2-4-7-12)9-5-8-13(14)17-11-15-10-16-17/h2-4,6-7,10-11,13H,5,8-9H2,1H3
InChIKeyHDWQIWKQCSKRTN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.96
Rot. Bonds2

About 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole

1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole (PubChem CID 118473657) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
PubChem CID118473657
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole
SMILESCC1(c2ccccc2)CCCC1n1cncn1
InChIInChI=1S/C14H17N3/c1-14(12-6-3-2-4-7-12)9-5-8-13(14)17-11-15-10-16-17/h2-4,6-7,10-11,13H,5,8-9H2,1H3
InChIKeyHDWQIWKQCSKRTN-UHFFFAOYSA-N
XLogP2.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenyl-2-propan-2-yloxycyclopentyl)-1,2,4-triazole
CID 118473690
1-(2-phenyl-2-propylcycloheptyl)-1,2,4-triazole
CID 118473703
1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
CID 118473658
1-(2-chloro-2-phenyloxolan-3-yl)-1,2,4-triazole
CID 118473666
(1-phenylcyclopropyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761368
1-[3-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)cyclohexan-1-ol
CID 118473735
3,3-dimethyl-1-(4-phenylphenyl)-5-(1,2,4-triazol-1-yl)pyrrolidine-2,4-dione
CID 70538956
3-chloro-4-(2,2-dimethylcyclopentyl)-5-phenyl-1,2,4-triazole
CID 79878389
(4aS)-4a-methyl-5-(4-phenyltriazol-1-yl)-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 123333406
N-(4,4-dimethylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65083355
(5S)-5-methyl-5-phenyl-3,4-dihydro-2H-pyridine
CID 101038180
cis-(1R,2S)-2-(1,2,4-triazol-1-yl)cyclohexane-1-carboxylic acid
CID 95008016

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole?
The IUPAC name of 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole (CID 118473657) is 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole is CC1(c2ccccc2)CCCC1n1cncn1.
What is the InChIKey of 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole?
The InChIKey is HDWQIWKQCSKRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-14(12-6-3-2-4-7-12)9-5-8-13(14)17-11-15-10-16-17/h2-4,6-7,10-11,13H,5,8-9H2,1H3.
What are the key properties of 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole?
1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole has a molecular weight of 227.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenylcyclopentyl)-1,2,4-triazole is sourced from PubChem (CID 118473657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).