3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole

C10H16ClN3 — CID 63384338

IUPAC3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole
SMILESCCC(CC)n1c(Cl)nnc1C1CC1
InChIInChI=1S/C10H16ClN3/c1-3-8(4-2)14-9(7-5-6-7)12-13-10(14)11/h7-8H,3-6H2,1-2H3
InChIKeyLHHXDNWUMKHCFL-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.17
Rot. Bonds4

About 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole

3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole (PubChem CID 63384338) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole
PubChem CID63384338
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole
SMILESCCC(CC)n1c(Cl)nnc1C1CC1
InChIInChI=1S/C10H16ClN3/c1-3-8(4-2)14-9(7-5-6-7)12-13-10(14)11/h7-8H,3-6H2,1-2H3
InChIKeyLHHXDNWUMKHCFL-UHFFFAOYSA-N
XLogP3.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-cyclopropyl-4-octan-4-yl-1,2,4-triazole
CID 106027536
3-chloro-5-cyclopropyl-4-(5-methylhexan-2-yl)-1,2,4-triazole
CID 63927364
3-chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 63384392
3-chloro-5-cyclopropyl-4-[1-(4-methoxyphenyl)ethyl]-1,2,4-triazole
CID 66243669
3-chloro-4,5-dicyclopropyl-1,2,4-triazole
CID 63384839
3-chloro-4-pentan-3-yl-5-phenyl-1,2,4-triazole
CID 63384340
3-chloro-5-cyclopropyl-4-(naphthalen-1-ylmethyl)-1,2,4-triazole
CID 63385204
3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole
CID 63385681
3-chloro-5-cyclopropyl-4-(2-propylphenyl)-1,2,4-triazole
CID 55185338
3-chloro-5-cyclopropyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385163
3-chloro-5-cyclopropyl-4-(2,3-dimethylcyclopentyl)-1,2,4-triazole
CID 64923468
3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385744

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole (CID 63384338) is 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole is CCC(CC)n1c(Cl)nnc1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole?
The InChIKey is LHHXDNWUMKHCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-3-8(4-2)14-9(7-5-6-7)12-13-10(14)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole has a molecular weight of 213.71 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-pentan-3-yl-1,2,4-triazole is sourced from PubChem (CID 63384338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).