2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol

C11H21N3O — CID 114684988

IUPAC2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1cnnn1CCC
InChIInChI=1S/C11H21N3O/c1-4-6-9(3)11(15)10-8-12-13-14(10)7-5-2/h8-9,11,15H,4-7H2,1-3H3
InChIKeyVKUKLAQZBGQKKY-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.16
Rot. Bonds6

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

2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol (PubChem CID 114684988) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
PubChem CID114684988
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1cnnn1CCC
InChIInChI=1S/C11H21N3O/c1-4-6-9(3)11(15)10-8-12-13-14(10)7-5-2/h8-9,11,15H,4-7H2,1-3H3
InChIKeyVKUKLAQZBGQKKY-UHFFFAOYSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
CID 114686781
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
N-ethyl-2-methyl-3-(3-propyltriazol-4-yl)butan-1-amine
CID 114691464
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol (CID 114684988) is 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol is CCCC(C)C(O)c1cnnn1CCC.
What is the InChIKey of 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol?
The InChIKey is VKUKLAQZBGQKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-9(3)11(15)10-8-12-13-14(10)7-5-2/h8-9,11,15H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol?
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol is sourced from PubChem (CID 114684988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).