4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline

C24H18N10 — CID 132838640

IUPAC4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline
SMILESc1cc(-n2cnnc2)ccc1N(c1ccc(-n2cnnc2)cc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C24H18N10/c1-7-22(8-2-19(1)31-13-25-26-14-31)34(23-9-3-20(4-10-23)32-15-27-28-16-32)24-11-5-21(6-12-24)33-17-29-30-18-33/h1-18H
InChIKeyYXMJEZQIZABOHJ-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.90
Rot. Bonds6

About 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline

4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline (PubChem CID 132838640) has the molecular formula C24H18N10 and a molecular weight of 446.48 g/mol. Its IUPAC name is 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline
PubChem CID132838640
Molecular FormulaC24H18N10
Molecular Weight446.48 g/mol
Exact Mass446.17
IUPAC Name4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline
SMILESc1cc(-n2cnnc2)ccc1N(c1ccc(-n2cnnc2)cc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C24H18N10/c1-7-22(8-2-19(1)31-13-25-26-14-31)34(23-9-3-20(4-10-23)32-15-27-28-16-32)24-11-5-21(6-12-24)33-17-29-30-18-33/h1-18H
InChIKeyYXMJEZQIZABOHJ-UHFFFAOYSA-N
XLogP3.90
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Bis[5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)
CID 44145295
1,4-di(4H-1,2,4-triazol-4-yl)benzene
CID 85962947
1,4-Di(1H-1,2,4-triazol-1-yl)benzene
CID 102578792
1,3-Di(4H-1,2,4-triazol-4-yl)benzene
CID 102583435
4H-1,2,4-Triazolium, 5-(2-(4-(diethylamino)phenyl)diazenyl)-1,4-dimethyl-, phosphate (3:1)
CID 44146341
1,4-Phenylene-bis(1,3,4-triazole) monohydrate
CID 85986237
Tris(4-(1H-1,2,4-triazol-1-yl)phenyl)amine
CID 122367263
(E)-4-[4-(phenyldiazenyl)phenyl-4H-1,2,4-triazole]triphenylboron
CID 139077349
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
CID 139084336
4-(1,2,4-triazol-1-yl)-N,N-bis[4-(1,2,4-triazol-1-yl)phenyl]aniline;hydrate
CID 139205674
4-(1,2,4-triazol-1-yl)-N,N-bis[4-(1,2,4-triazol-1-yl)phenyl]aniline
CID 139205675
Di-mu-aqua-bis[diaquabis(thiocyanato-kappaN)iron(II)]-1,4-bis(4H-1,2,4-triazol-4-yl)benzene (1/3)
CID 168310231

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline?
The IUPAC name of 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline (CID 132838640) is 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline.
What is the SMILES notation for 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline?
The canonical SMILES for 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline is c1cc(-n2cnnc2)ccc1N(c1ccc(-n2cnnc2)cc1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline?
The InChIKey is YXMJEZQIZABOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N10/c1-7-22(8-2-19(1)31-13-25-26-14-31)34(23-9-3-20(4-10-23)32-15-27-28-16-32)24-11-5-21(6-12-24)33-17-29-30-18-33/h1-18H.
What are the key properties of 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline?
4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline has a molecular weight of 446.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-4-yl)-N,N-bis[4-(1,2,4-triazol-4-yl)phenyl]aniline is sourced from PubChem (CID 132838640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).