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

C14H24N4O — CID 66266935

IUPAC4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nnc(C)n1C1CCCCC1
InChIInChI=1S/C14H24N4O/c1-10-16-17-14(12-8-19-9-13(12)15-2)18(10)11-6-4-3-5-7-11/h11-13,15H,3-9H2,1-2H3
InChIKeyPGGJQPNWJFERCB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds3

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

4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine (PubChem CID 66266935) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine
PubChem CID66266935
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nnc(C)n1C1CCCCC1
InChIInChI=1S/C14H24N4O/c1-10-16-17-14(12-8-19-9-13(12)15-2)18(10)11-6-4-3-5-7-11/h11-13,15H,3-9H2,1-2H3
InChIKeyPGGJQPNWJFERCB-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine?
The IUPAC name of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine (CID 66266935) is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine is CNC1COCC1c1nnc(C)n1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine?
The InChIKey is PGGJQPNWJFERCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-16-17-14(12-8-19-9-13(12)15-2)18(10)11-6-4-3-5-7-11/h11-13,15H,3-9H2,1-2H3.
What are the key properties of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine?
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine has a molecular weight of 264.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 66266935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).