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

C8H15N3O — CID 107045999

IUPAC1-(1-methyltriazol-4-yl)pentan-2-ol
SMILESCCCC(O)Cc1cn(C)nn1
InChIInChI=1S/C8H15N3O/c1-3-4-8(12)5-7-6-11(2)10-9-7/h6,8,12H,3-5H2,1-2H3
InChIKeyKUPWMQPIAKOIMZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.52
Rot. Bonds4

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

1-(1-methyltriazol-4-yl)pentan-2-ol (PubChem CID 107045999) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)pentan-2-ol
PubChem CID107045999
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1-methyltriazol-4-yl)pentan-2-ol
SMILESCCCC(O)Cc1cn(C)nn1
InChIInChI=1S/C8H15N3O/c1-3-4-8(12)5-7-6-11(2)10-9-7/h6,8,12H,3-5H2,1-2H3
InChIKeyKUPWMQPIAKOIMZ-UHFFFAOYSA-N
XLogP0.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
4-methoxy-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107047724
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
CID 107066634
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1-methyltriazol-4-yl)tridecan-2-amine
CID 107063941
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
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)pentan-2-ol?
The IUPAC name of 1-(1-methyltriazol-4-yl)pentan-2-ol (CID 107045999) is 1-(1-methyltriazol-4-yl)pentan-2-ol.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)pentan-2-ol?
The canonical SMILES for 1-(1-methyltriazol-4-yl)pentan-2-ol is CCCC(O)Cc1cn(C)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)pentan-2-ol?
The InChIKey is KUPWMQPIAKOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-8(12)5-7-6-11(2)10-9-7/h6,8,12H,3-5H2,1-2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)pentan-2-ol?
1-(1-methyltriazol-4-yl)pentan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.52, 4 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)pentan-2-ol is sourced from PubChem (CID 107045999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).