1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol

C14H16N6O — CID 131948641

IUPAC1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncnc1-c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C14H16N6O/c1-2-13(21)7-20-14(15-8-18-20)11-3-5-12(6-4-11)19-9-16-17-10-19/h3-6,8-10,13,21H,2,7H2,1H3
InChIKeyAUENGDOXGNZHJO-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.30
Rot. Bonds5

About 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol

1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 131948641) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID131948641
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncnc1-c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C14H16N6O/c1-2-13(21)7-20-14(15-8-18-20)11-3-5-12(6-4-11)19-9-16-17-10-19/h3-6,8-10,13,21H,2,7H2,1H3
InChIKeyAUENGDOXGNZHJO-UHFFFAOYSA-N
XLogP1.30
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol with MolForge

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Related Compounds

4-[2-[(2R)-2-hydroxybutyl]-1,2,4-triazol-3-yl]benzonitrile
CID 97127838
1-[5-(3-chlorophenyl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131926470
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
1-[5-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazol-1-yl]butan-2-ol
CID 131941875
4-(2-ethyl-1,2,4-triazol-3-yl)benzamide
CID 91531944
(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 97116467
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 62697211
1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
CID 155386146
3-[2-[2-(2-hydroxybutyl)-1,2,4-triazol-3-yl]ethyl]-1H-quinoxalin-2-one
CID 72878349
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol (CID 131948641) is 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol is CCC(O)Cn1ncnc1-c1ccc(-n2cnnc2)cc1.
What is the InChIKey of 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is AUENGDOXGNZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-13(21)7-20-14(15-8-18-20)11-3-5-12(6-4-11)19-9-16-17-10-19/h3-6,8-10,13,21H,2,7H2,1H3.
What are the key properties of 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol?
1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(1,2,4-triazol-4-yl)phenyl]-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 131948641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).