3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole

C8H12ClN3 — CID 130848106

IUPAC3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
SMILESClc1n[nH]c(CC2CCCC2)n1
InChIInChI=1S/C8H12ClN3/c9-8-10-7(11-12-8)5-6-3-1-2-4-6/h6H,1-5H2,(H,10,11,12)
InChIKeyBFAHWTXVOMPVEF-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.19
Rot. Bonds2

About 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole

3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole (PubChem CID 130848106) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
PubChem CID130848106
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
SMILESClc1n[nH]c(CC2CCCC2)n1
InChIInChI=1S/C8H12ClN3/c9-8-10-7(11-12-8)5-6-3-1-2-4-6/h6H,1-5H2,(H,10,11,12)
InChIKeyBFAHWTXVOMPVEF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole
CID 84660804
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
5-(cyclohexylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 61353981
3-chloro-5-(chloromethyl)-1H-1,2,4-triazole
CID 20557945
1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792902
[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]imino-dimethyl-oxo-λ6-sulfane
CID 167930575
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
5-(cyclopentylmethyl)-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 24649280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole (CID 130848106) is 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole is Clc1n[nH]c(CC2CCCC2)n1.
What is the InChIKey of 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole?
The InChIKey is BFAHWTXVOMPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c9-8-10-7(11-12-8)5-6-3-1-2-4-6/h6H,1-5H2,(H,10,11,12).
What are the key properties of 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole?
3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole has a molecular weight of 185.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 130848106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).