[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol

C8H15N3O — CID 90815098

IUPAC[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cc1nnc(CO)n1C
InChIInChI=1S/C8H15N3O/c1-6(2)4-7-9-10-8(5-12)11(7)3/h6,12H,4-5H2,1-3H3
InChIKeyPYQAIIRBPVOVSS-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.51
Rot. Bonds3

About [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol

[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 90815098) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID90815098
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)Cc1nnc(CO)n1C
InChIInChI=1S/C8H15N3O/c1-6(2)4-7-9-10-8(5-12)11(7)3/h6,12H,4-5H2,1-3H3
InChIKeyPYQAIIRBPVOVSS-UHFFFAOYSA-N
XLogP0.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol (CID 90815098) is [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is CC(C)Cc1nnc(CO)n1C.
What is the InChIKey of [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is PYQAIIRBPVOVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)4-7-9-10-8(5-12)11(7)3/h6,12H,4-5H2,1-3H3.
What are the key properties of [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 169.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 90815098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).