2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol

C10H19N3O — CID 66059154

IUPAC2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
SMILESCC(C)Cn1ncnc1CC(C)CO
InChIInChI=1S/C10H19N3O/c1-8(2)5-13-10(11-7-12-13)4-9(3)6-14/h7-9,14H,4-6H2,1-3H3
InChIKeyPVJWPCOZWCVGBS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds5

About 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol

2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 66059154) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID66059154
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
SMILESCC(C)Cn1ncnc1CC(C)CO
InChIInChI=1S/C10H19N3O/c1-8(2)5-13-10(11-7-12-13)4-9(3)6-14/h7-9,14H,4-6H2,1-3H3
InChIKeyPVJWPCOZWCVGBS-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfanyl]propan-1-ol
CID 66102924
5-hydroxy-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-2-one
CID 103343846
3-ethyl-3-methoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 116752928
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-ol
CID 115814294
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
4-ethylsulfanyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 116504711
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-methylsulfanylpentan-2-ol
CID 103089731
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-yl]hydrazine
CID 105317693
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
CID 79444206
(2S)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 83195321
4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 114981841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol (CID 66059154) is 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol is CC(C)Cn1ncnc1CC(C)CO.
What is the InChIKey of 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is PVJWPCOZWCVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)5-13-10(11-7-12-13)4-9(3)6-14/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol?
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 66059154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).