2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol

C10H19N3O — CID 130914145

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol
SMILESCc1nnc(C(C)(O)CC(C)C)n1C
InChIInChI=1S/C10H19N3O/c1-7(2)6-10(4,14)9-12-11-8(3)13(9)5/h7,14H,6H2,1-5H3
InChIKeyFJRKJDLNYALVNZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.38
Rot. Bonds3

About 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol

2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol (PubChem CID 130914145) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol
PubChem CID130914145
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol
SMILESCc1nnc(C(C)(O)CC(C)C)n1C
InChIInChI=1S/C10H19N3O/c1-7(2)6-10(4,14)9-12-11-8(3)13(9)5/h7,14H,6H2,1-5H3
InChIKeyFJRKJDLNYALVNZ-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-tert-butyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]-3-methylbutan-1-ol
CID 97452955
2-(5-Tert-butyl-4-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 59539687
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 83384673
[4-Methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 90815098
1-(4-Methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 131206061
1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
CID 143815071
2-(4,5-Dimethyl-1,2,4-triazol-3-yl)-4-[5-(2-hydroxypropan-2-yl)-2-methyl-1,2,4-triazol-3-yl]butan-2-ol
CID 156225824
2-(2-Ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 163231929
Ethane;2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 163231944
2-(5-Ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 171659714
1-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]cyclopentan-1-ol
CID 65701993

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol (CID 130914145) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol is Cc1nnc(C(C)(O)CC(C)C)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol?
The InChIKey is FJRKJDLNYALVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)6-10(4,14)9-12-11-8(3)13(9)5/h7,14H,6H2,1-5H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 130914145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).