(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol

C9H15N3O — CID 61338898

IUPAC(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
SMILESOCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C9H15N3O/c13-6-8-10-9(12-11-8)7-4-2-1-3-5-7/h7,13H,1-6H2,(H,10,11,12)
InChIKeyGIGSSSVXHYDZHX-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.34
Rot. Bonds2

About (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol

(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol (PubChem CID 61338898) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol.

Molecular Properties

Compound Name(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
PubChem CID61338898
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
SMILESOCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C9H15N3O/c13-6-8-10-9(12-11-8)7-4-2-1-3-5-7/h7,13H,1-6H2,(H,10,11,12)
InChIKeyGIGSSSVXHYDZHX-UHFFFAOYSA-N
XLogP1.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol?
The IUPAC name of (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol (CID 61338898) is (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol.
What is the SMILES notation for (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol?
The canonical SMILES for (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol is OCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol?
The InChIKey is GIGSSSVXHYDZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-6-8-10-9(12-11-8)7-4-2-1-3-5-7/h7,13H,1-6H2,(H,10,11,12).
What are the key properties of (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol?
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol has a molecular weight of 181.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol is sourced from PubChem (CID 61338898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).