4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine

C13H22N4O — CID 66249793

IUPAC4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
SMILESCn1nc(C2CCCC2)nc1C1(C)COCC1N
InChIInChI=1S/C13H22N4O/c1-13(8-18-7-10(13)14)12-15-11(16-17(12)2)9-5-3-4-6-9/h9-10H,3-8,14H2,1-2H3
InChIKeyNYKKHUYRROLGMG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.09
Rot. Bonds2

About 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine

4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine (PubChem CID 66249793) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
PubChem CID66249793
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
SMILESCn1nc(C2CCCC2)nc1C1(C)COCC1N
InChIInChI=1S/C13H22N4O/c1-13(8-18-7-10(13)14)12-15-11(16-17(12)2)9-5-3-4-6-9/h9-10H,3-8,14H2,1-2H3
InChIKeyNYKKHUYRROLGMG-UHFFFAOYSA-N
XLogP1.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249794
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249009
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 66248370
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62721241
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
CID 62722733
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 55177966
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66249133
4-methyl-4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82895923
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 66250718
4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66250503
4-(1-ethylimidazo[4,5-c]pyridin-2-yl)-4-methyloxolan-3-amine
CID 66249134

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine (CID 66249793) is 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine is Cn1nc(C2CCCC2)nc1C1(C)COCC1N.
What is the InChIKey of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The InChIKey is NYKKHUYRROLGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(8-18-7-10(13)14)12-15-11(16-17(12)2)9-5-3-4-6-9/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66249793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).