4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol

C9H17N3O — CID 57012857

IUPAC4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
SMILESCC(C)CCC(O)c1ncnn1C
InChIInChI=1S/C9H17N3O/c1-7(2)4-5-8(13)9-10-6-11-12(9)3/h6-8,13H,4-5H2,1-3H3
InChIKeyJLHOUJHJEHYFOB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.28
Rot. Bonds4

About 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol

4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol (PubChem CID 57012857) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
PubChem CID57012857
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
SMILESCC(C)CCC(O)c1ncnn1C
InChIInChI=1S/C9H17N3O/c1-7(2)4-5-8(13)9-10-6-11-12(9)3/h6-8,13H,4-5H2,1-3H3
InChIKeyJLHOUJHJEHYFOB-UHFFFAOYSA-N
XLogP1.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The IUPAC name of 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol (CID 57012857) is 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol.
What is the SMILES notation for 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The canonical SMILES for 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol is CC(C)CCC(O)c1ncnn1C.
What is the InChIKey of 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
The InChIKey is JLHOUJHJEHYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)4-5-8(13)9-10-6-11-12(9)3/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol?
4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol is sourced from PubChem (CID 57012857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).