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

C13H24N4O — CID 62552361

IUPAC[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCc1nnc(CNC2(CO)CCCC(C)C2)n1C
InChIInChI=1S/C13H24N4O/c1-10-5-4-6-13(7-10,9-18)14-8-12-16-15-11(2)17(12)3/h10,14,18H,4-9H2,1-3H3
InChIKeyDGBNDJJGZKWIQI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds4

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

[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 62552361) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID62552361
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCc1nnc(CNC2(CO)CCCC(C)C2)n1C
InChIInChI=1S/C13H24N4O/c1-10-5-4-6-13(7-10,9-18)14-8-12-16-15-11(2)17(12)3/h10,14,18H,4-9H2,1-3H3
InChIKeyDGBNDJJGZKWIQI-UHFFFAOYSA-N
XLogP1.15
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
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]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol (CID 62552361) is [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol is Cc1nnc(CNC2(CO)CCCC(C)C2)n1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is DGBNDJJGZKWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-5-4-6-13(7-10,9-18)14-8-12-16-15-11(2)17(12)3/h10,14,18H,4-9H2,1-3H3.
What are the key properties of [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 252.36 g/mol, XLogP of 1.15, 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]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 62552361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).