3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol

C10H17N3O — CID 82210946

IUPAC3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol
SMILESC=C(C)Cn1nnc(CCCO)c1C
InChIInChI=1S/C10H17N3O/c1-8(2)7-13-9(3)10(11-12-13)5-4-6-14/h14H,1,4-7H2,2-3H3
InChIKeySYJKUWUBUYZMCF-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.09
Rot. Bonds5

About 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol

3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol (PubChem CID 82210946) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol
PubChem CID82210946
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol
SMILESC=C(C)Cn1nnc(CCCO)c1C
InChIInChI=1S/C10H17N3O/c1-8(2)7-13-9(3)10(11-12-13)5-4-6-14/h14H,1,4-7H2,2-3H3
InChIKeySYJKUWUBUYZMCF-UHFFFAOYSA-N
XLogP1.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[5-methyl-1-(2-methylpropyl)triazol-4-yl]propan-1-ol
CID 82208862
3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
CID 82211180
2-(1-butyl-5-methyltriazol-4-yl)ethanol
CID 82205579
[1-(2-methylprop-2-enyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82210644
3-[5-methyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]propan-1-ol
CID 82209802
[5-[2-(4-methylphenyl)ethyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210815
4-butyl-5-methyl-1-propyltriazole
CID 69381876
[1-(2-methylprop-2-enyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 82210912
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
3-[5-methyl-1-(1-phenylethyl)triazol-4-yl]propan-1-ol
CID 82206301
[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830
[5-benzhydryl-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 94946092

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol (CID 82210946) is 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol is C=C(C)Cn1nnc(CCCO)c1C.
What is the InChIKey of 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol?
The InChIKey is SYJKUWUBUYZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)7-13-9(3)10(11-12-13)5-4-6-14/h14H,1,4-7H2,2-3H3.
What are the key properties of 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol?
3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 82210946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).