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

C9H17N3O — CID 131183317

IUPAC4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCC(O)CC(C)(C)c1nncn1C
InChIInChI=1S/C9H17N3O/c1-7(13)5-9(2,3)8-11-10-6-12(8)4/h6-7,13H,5H2,1-4H3
InChIKeyXBGJQMWNQLMTCK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.86
Rot. Bonds3

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

4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 131183317) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID131183317
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCC(O)CC(C)(C)c1nncn1C
InChIInChI=1S/C9H17N3O/c1-7(13)5-9(2,3)8-11-10-6-12(8)4/h6-7,13H,5H2,1-4H3
InChIKeyXBGJQMWNQLMTCK-UHFFFAOYSA-N
XLogP0.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-(1-methylimidazol-2-yl)pentan-2-ol
CID 64718314
2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62693883
4-(2,3-dimethylimidazol-4-yl)-4-methylpentan-2-ol
CID 130519099
ethyl 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)propanoate
CID 79471711
2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
CID 130758261
4-(2-ethylpyrazol-3-yl)-4-methylpentan-2-ol
CID 64715983
2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 115431380
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 131162810
1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
CID 127016465
4-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]butan-2-ol
CID 115666950

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 131183317) is 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol is CC(O)CC(C)(C)c1nncn1C.
What is the InChIKey of 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is XBGJQMWNQLMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(13)5-9(2,3)8-11-10-6-12(8)4/h6-7,13H,5H2,1-4H3.
What are the key properties of 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol?
4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 131183317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).