4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole

C16H12N6 — CID 141464015

IUPAC4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole
SMILESc1cc(-n2cnnc2)ccc1-c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C16H12N6/c1-5-15(21-9-17-18-10-21)6-2-13(1)14-3-7-16(8-4-14)22-11-19-20-12-22/h1-12H
InChIKeyBBMVATNCFFPTEB-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.52
Rot. Bonds3

About 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole

4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole (PubChem CID 141464015) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole
PubChem CID141464015
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole
SMILESc1cc(-n2cnnc2)ccc1-c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C16H12N6/c1-5-15(21-9-17-18-10-21)6-2-13(1)14-3-7-16(8-4-14)22-11-19-20-12-22/h1-12H
InChIKeyBBMVATNCFFPTEB-UHFFFAOYSA-N
XLogP2.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-[[4-[(3-amino-1,2,4-triazole-1-carbonyl)amino]phenyl]methyl]phenyl]-1,2,4-triazole-1-carboxamide
CID 132961453
3-amino-N-[4-[4-[(3-amino-1,2,4-triazole-1-carbonyl)amino]phenyl]phenyl]-1,2,4-triazole-1-carboxamide
CID 137658732
1-(4-Methylphenyl)-1,2,4-triazole
CID 9989504
1-(2-Phenylphenyl)tetrazole
CID 738194
4-(4-Methylphenyl)-1,2,4-triazole
CID 2322491
2-[4-(4H-1,2,4-Triazol-4-yl)phenyl]ethan-1-amine
CID 22390713
3-[(1-Benzylpyrrolidin-3-yl)methyl]-4-phenyl-1,2,4-triazole
CID 132333720
1-(4-Isopropylphenyl)tetrazole
CID 68011279
1-[1,1'-Biphenyl]-4-yl-1H-tetraazole
CID 606674
4-[4-(Trifluoromethyl)phenyl]-1,2,4-triazole
CID 46901293
N-{1-[4-(1H-tetraazol-1-yl)phenyl]ethylidene}-N-(4H-1,2,4-triazol-4-yl)amine
CID 5396294
1-(4-Phenylphenyl)-1,2,4-triazole
CID 54001494

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole?
The IUPAC name of 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole (CID 141464015) is 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole.
What is the SMILES notation for 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole?
The canonical SMILES for 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole is c1cc(-n2cnnc2)ccc1-c1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole?
The InChIKey is BBMVATNCFFPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-5-15(21-9-17-18-10-21)6-2-13(1)14-3-7-16(8-4-14)22-11-19-20-12-22/h1-12H.
What are the key properties of 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole?
4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole has a molecular weight of 288.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazole is sourced from PubChem (CID 141464015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).