4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol

C16H24N4O — CID 114691263

IUPAC4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol
SMILESCC(C)CNCCC(C)(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4O/c1-13(2)11-17-10-9-16(3,21)15-12-18-19-20(15)14-7-5-4-6-8-14/h4-8,12-13,17,21H,9-11H2,1-3H3
InChIKeyOEZCGNYBZAAMAS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.11
Rot. Bonds7

About 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol

4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol (PubChem CID 114691263) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol
PubChem CID114691263
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol
SMILESCC(C)CNCCC(C)(O)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H24N4O/c1-13(2)11-17-10-9-16(3,21)15-12-18-19-20(15)14-7-5-4-6-8-14/h4-8,12-13,17,21H,9-11H2,1-3H3
InChIKeyOEZCGNYBZAAMAS-UHFFFAOYSA-N
XLogP2.11
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-phenyltriazol-4-yl)pentan-2-ol
CID 114685496
2,6-dimethyl-4-(3-phenyltriazol-4-yl)heptan-4-ol
CID 114865283
3-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 114691507
1-ethoxy-2-(3-phenyltriazol-4-yl)propan-2-ol
CID 114685504
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
4-(2-methylpropylamino)-2-pyridin-3-ylbutan-2-ol
CID 66002674
2-methyl-2-(3-phenyltriazol-4-yl)propanoic acid
CID 114690024
3-methyl-3-(3-phenyltriazol-4-yl)butanoic acid
CID 114691347
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
4-(2-methylpropylamino)-2-quinolin-8-ylbutan-2-ol
CID 81221214
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
4-(2-methylpropylamino)-2-(5-methylthiophen-2-yl)butan-2-ol
CID 66003863

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol?
The IUPAC name of 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol (CID 114691263) is 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol?
The canonical SMILES for 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol is CC(C)CNCCC(C)(O)c1cnnn1-c1ccccc1.
What is the InChIKey of 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol?
The InChIKey is OEZCGNYBZAAMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)11-17-10-9-16(3,21)15-12-18-19-20(15)14-7-5-4-6-8-14/h4-8,12-13,17,21H,9-11H2,1-3H3.
What are the key properties of 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol?
4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-2-(3-phenyltriazol-4-yl)butan-2-ol is sourced from PubChem (CID 114691263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).