2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine

C14H24N4O — CID 66434912

IUPAC2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1nc(C2CCCCC2)nc1CC1CNCCO1
InChIInChI=1S/C14H24N4O/c1-18-13(9-12-10-15-7-8-19-12)16-14(17-18)11-5-3-2-4-6-11/h11-12,15H,2-10H2,1H3
InChIKeyVNXJOYDTZPIGFF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.39
Rot. Bonds3

About 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine

2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 66434912) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID66434912
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1nc(C2CCCCC2)nc1CC1CNCCO1
InChIInChI=1S/C14H24N4O/c1-18-13(9-12-10-15-7-8-19-12)16-14(17-18)11-5-3-2-4-6-11/h11-12,15H,2-10H2,1H3
InChIKeyVNXJOYDTZPIGFF-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 66434912) is 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine is Cn1nc(C2CCCCC2)nc1CC1CNCCO1.
What is the InChIKey of 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is VNXJOYDTZPIGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18-13(9-12-10-15-7-8-19-12)16-14(17-18)11-5-3-2-4-6-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 264.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 66434912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).