5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole

C12H19N3O — CID 114826027

IUPAC5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
SMILESCC1CC(c2n[nH]c(C3CCCC3)n2)CO1
InChIInChI=1S/C12H19N3O/c1-8-6-10(7-16-8)12-13-11(14-15-12)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyYDATZJWSORWAKV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.35
Rot. Bonds2

About 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole

5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole (PubChem CID 114826027) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
PubChem CID114826027
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
SMILESCC1CC(c2n[nH]c(C3CCCC3)n2)CO1
InChIInChI=1S/C12H19N3O/c1-8-6-10(7-16-8)12-13-11(14-15-12)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyYDATZJWSORWAKV-UHFFFAOYSA-N
XLogP2.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826023
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55146919
2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
CID 114824901
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552358
[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799449
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-ethyloxolan-3-amine
CID 66247471
4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 114825995
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole (CID 114826027) is 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole is CC1CC(c2n[nH]c(C3CCCC3)n2)CO1.
What is the InChIKey of 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
The InChIKey is YDATZJWSORWAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-10(7-16-8)12-13-11(14-15-12)9-4-2-3-5-9/h8-10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole has a molecular weight of 221.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 114826027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).