5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole

C11H18ClN3 — CID 130530652

IUPAC5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC1C(Cl)CCC1c1ncnn1C(C)C
InChIInChI=1S/C11H18ClN3/c1-7(2)15-11(13-6-14-15)9-4-5-10(12)8(9)3/h6-10H,4-5H2,1-3H3
InChIKeyMWJGQVRKIQAXKY-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.98
Rot. Bonds2

About 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole

5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 130530652) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole
PubChem CID130530652
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC1C(Cl)CCC1c1ncnn1C(C)C
InChIInChI=1S/C11H18ClN3/c1-7(2)15-11(13-6-14-15)9-4-5-10(12)8(9)3/h6-10H,4-5H2,1-3H3
InChIKeyMWJGQVRKIQAXKY-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-yl-1,2,4-triazol-3-yl)cyclobutan-1-amine
CID 130530665
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261342
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114665091
5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
CID 64909028
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
CID 114665648
2-methyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 106780031
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
2-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79369794
5-(azetidin-3-ylidenemethyl)-1-propan-2-yl-1,2,4-triazole
CID 79880318
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744541
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole (CID 130530652) is 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole is CC1C(Cl)CCC1c1ncnn1C(C)C.
What is the InChIKey of 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is MWJGQVRKIQAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-7(2)15-11(13-6-14-15)9-4-5-10(12)8(9)3/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole?
5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 227.74 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylcyclopentyl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 130530652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).