[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol

C12H22N4O — CID 113483028

IUPAC[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cnnn2C)C1
InChIInChI=1S/C12H22N4O/c1-10-4-3-5-12(6-10,9-17)13-7-11-8-14-15-16(11)2/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyVGJHYBWWMSHHKQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds4

About [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 113483028) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID113483028
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cnnn2C)C1
InChIInChI=1S/C12H22N4O/c1-10-4-3-5-12(6-10,9-17)13-7-11-8-14-15-16(11)2/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyVGJHYBWWMSHHKQ-UHFFFAOYSA-N
XLogP0.85
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol (CID 113483028) is [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCc2cnnn2C)C1.
What is the InChIKey of [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is VGJHYBWWMSHHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-4-3-5-12(6-10,9-17)13-7-11-8-14-15-16(11)2/h8,10,13,17H,3-7,9H2,1-2H3.
What are the key properties of [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 113483028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).