[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol

C12H22N4O — CID 62520817

IUPAC[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCc1nnc(CNC2(CO)CCCCC2)n1C
InChIInChI=1S/C12H22N4O/c1-10-14-15-11(16(10)2)8-13-12(9-17)6-4-3-5-7-12/h13,17H,3-9H2,1-2H3
InChIKeyCMFKMTYAGXPQES-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds4

About [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol

[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 62520817) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
PubChem CID62520817
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
SMILESCc1nnc(CNC2(CO)CCCCC2)n1C
InChIInChI=1S/C12H22N4O/c1-10-14-15-11(16(10)2)8-13-12(9-17)6-4-3-5-7-12/h13,17H,3-9H2,1-2H3
InChIKeyCMFKMTYAGXPQES-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol (CID 62520817) is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol is Cc1nnc(CNC2(CO)CCCCC2)n1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is CMFKMTYAGXPQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-14-15-11(16(10)2)8-13-12(9-17)6-4-3-5-7-12/h13,17H,3-9H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol?
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62520817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).