4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol

C14H19N3O — CID 114685496

IUPAC4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(2)9-14(3,18)13-10-15-16-17(13)12-7-5-4-6-8-12/h4-8,10-11,18H,9H2,1-3H3
InChIKeyKJWBQDKGEQCQMD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.52
Rot. Bonds4

About 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol

4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol (PubChem CID 114685496) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
PubChem CID114685496
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(2)9-14(3,18)13-10-15-16-17(13)12-7-5-4-6-8-12/h4-8,10-11,18H,9H2,1-3H3
InChIKeyKJWBQDKGEQCQMD-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol
CID 114691263
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
CID 114685504
2-methyl-2-(3-phenyltriazol-4-yl)propanoic acid
CID 114690024
3-methyl-3-(3-phenyltriazol-4-yl)butanoic acid
CID 114691347
3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 114691507
2,6-dimethyl-4-(2-phenylpyrazol-3-yl)heptan-4-ol
CID 107330039
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
CID 117167347
2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
CID 117167342
5-(3-bromo-4,4-dimethylpentyl)-1-phenyltriazole
CID 114690627
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol?
The IUPAC name of 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol (CID 114685496) is 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol is CC(C)CC(C)(O)c1cnnn1-c1ccccc1.
What is the InChIKey of 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol?
The InChIKey is KJWBQDKGEQCQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)9-14(3,18)13-10-15-16-17(13)12-7-5-4-6-8-12/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol?
4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol is sourced from PubChem (CID 114685496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).