3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole

C12H20ClN3 — CID 63829791

IUPAC3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC1(C)CCCC1
InChIInChI=1S/C12H20ClN3/c1-3-6-10-14-15-11(13)16(10)9-12(2)7-4-5-8-12/h3-9H2,1-2H3
InChIKeyFVAYDJGBOMSPTJ-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.46
Rot. Bonds4

About 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole

3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole (PubChem CID 63829791) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole
PubChem CID63829791
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC1(C)CCCC1
InChIInChI=1S/C12H20ClN3/c1-3-6-10-14-15-11(13)16(10)9-12(2)7-4-5-8-12/h3-9H2,1-2H3
InChIKeyFVAYDJGBOMSPTJ-UHFFFAOYSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole (CID 63829791) is 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1CC1(C)CCCC1.
What is the InChIKey of 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole?
The InChIKey is FVAYDJGBOMSPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-3-6-10-14-15-11(13)16(10)9-12(2)7-4-5-8-12/h3-9H2,1-2H3.
What are the key properties of 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole?
3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole has a molecular weight of 241.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1-methylcyclopentyl)methyl]-5-propyl-1,2,4-triazole is sourced from PubChem (CID 63829791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).