1-(1-methyltriazol-4-yl)hexan-2-ol

C9H17N3O — CID 107046013

IUPAC1-(1-methyltriazol-4-yl)hexan-2-ol
SMILESCCCCC(O)Cc1cn(C)nn1
InChIInChI=1S/C9H17N3O/c1-3-4-5-9(13)6-8-7-12(2)11-10-8/h7,9,13H,3-6H2,1-2H3
InChIKeyVPNKHXIEXBBYMJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.91
Rot. Bonds5

About 1-(1-methyltriazol-4-yl)hexan-2-ol

1-(1-methyltriazol-4-yl)hexan-2-ol (PubChem CID 107046013) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)hexan-2-ol
PubChem CID107046013
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(1-methyltriazol-4-yl)hexan-2-ol
SMILESCCCCC(O)Cc1cn(C)nn1
InChIInChI=1S/C9H17N3O/c1-3-4-5-9(13)6-8-7-12(2)11-10-8/h7,9,13H,3-6H2,1-2H3
InChIKeyVPNKHXIEXBBYMJ-UHFFFAOYSA-N
XLogP0.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
1-(1-methyltriazol-4-yl)tridecan-2-amine
CID 107063941
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
2-[(1-methyltriazol-4-yl)methyl]-N-propylpentan-1-amine
CID 107052901
1-(2,6-dichlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047739
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
1-(4-methylphenyl)sulfanyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047903

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)hexan-2-ol?
The IUPAC name of 1-(1-methyltriazol-4-yl)hexan-2-ol (CID 107046013) is 1-(1-methyltriazol-4-yl)hexan-2-ol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)hexan-2-ol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)hexan-2-ol is CCCCC(O)Cc1cn(C)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)hexan-2-ol?
The InChIKey is VPNKHXIEXBBYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-5-9(13)6-8-7-12(2)11-10-8/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)hexan-2-ol?
1-(1-methyltriazol-4-yl)hexan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)hexan-2-ol is sourced from PubChem (CID 107046013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).