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

C11H18ClN3 — CID 64687647

IUPAC3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1C1(C)CCCC1
InChIInChI=1S/C11H18ClN3/c1-8(2)9-13-14-10(12)15(9)11(3)6-4-5-7-11/h8H,4-7H2,1-3H3
InChIKeyCBVPDKFDAHIMAL-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.34
Rot. Bonds2

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

3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole (PubChem CID 64687647) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole
PubChem CID64687647
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1C1(C)CCCC1
InChIInChI=1S/C11H18ClN3/c1-8(2)9-13-14-10(12)15(9)11(3)6-4-5-7-11/h8H,4-7H2,1-3H3
InChIKeyCBVPDKFDAHIMAL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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)-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole (CID 64687647) is 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(Cl)n1C1(C)CCCC1.
What is the InChIKey of 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole?
The InChIKey is CBVPDKFDAHIMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(2)9-13-14-10(12)15(9)11(3)6-4-5-7-11/h8H,4-7H2,1-3H3.
What are the key properties of 3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole?
3-chloro-4-(1-methylcyclopentyl)-5-propan-2-yl-1,2,4-triazole has a molecular weight of 227.74 g/mol, XLogP of 3.34, 2 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)-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 64687647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).