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

C14H24N4O — CID 66249794

IUPAC4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
SMILESCn1nc(C2CCCCC2)nc1C1(C)COCC1N
InChIInChI=1S/C14H24N4O/c1-14(9-19-8-11(14)15)13-16-12(17-18(13)2)10-6-4-3-5-7-10/h10-11H,3-9,15H2,1-2H3
InChIKeyXVDAATHUMQTIQP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds2

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

4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine (PubChem CID 66249794) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
PubChem CID66249794
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
SMILESCn1nc(C2CCCCC2)nc1C1(C)COCC1N
InChIInChI=1S/C14H24N4O/c1-14(9-19-8-11(14)15)13-16-12(17-18(13)2)10-6-4-3-5-7-10/h10-11H,3-9,15H2,1-2H3
InChIKeyXVDAATHUMQTIQP-UHFFFAOYSA-N
XLogP1.48
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249793
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-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
CID 62722733
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62721241
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 55177966
4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine
CID 114355721
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 66250718
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66249133
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 62722907
4-(1-ethylbenzimidazol-2-yl)-4-methyloxolan-3-amine
CID 66248150

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine (CID 66249794) is 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine is Cn1nc(C2CCCCC2)nc1C1(C)COCC1N.
What is the InChIKey of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
The InChIKey is XVDAATHUMQTIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(9-19-8-11(14)15)13-16-12(17-18(13)2)10-6-4-3-5-7-10/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine?
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66249794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).