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

C24H18N10 — CID 146675030

IUPAC4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline
SMILESc1cn(-c2ccc(N(c3ccc(-n4ccnn4)cc3)c3ccc(-n4ccnn4)cc3)cc2)nn1
InChIInChI=1S/C24H18N10/c1-7-22(8-2-19(1)31-16-13-25-28-31)34(23-9-3-20(4-10-23)32-17-14-26-29-32)24-11-5-21(6-12-24)33-18-15-27-30-33/h1-18H
InChIKeyGUTQUKUGHGUIPO-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.90
Rot. Bonds6

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

4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline (PubChem CID 146675030) has the molecular formula C24H18N10 and a molecular weight of 446.48 g/mol. Its IUPAC name is 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline
PubChem CID146675030
Molecular FormulaC24H18N10
Molecular Weight446.48 g/mol
Exact Mass446.17
IUPAC Name4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline
SMILESc1cn(-c2ccc(N(c3ccc(-n4ccnn4)cc3)c3ccc(-n4ccnn4)cc3)cc2)nn1
InChIInChI=1S/C24H18N10/c1-7-22(8-2-19(1)31-16-13-25-28-31)34(23-9-3-20(4-10-23)32-17-14-26-29-32)24-11-5-21(6-12-24)33-18-15-27-30-33/h1-18H
InChIKeyGUTQUKUGHGUIPO-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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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline?
The IUPAC name of 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline (CID 146675030) is 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline.
What is the SMILES notation for 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline?
The canonical SMILES for 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline is c1cn(-c2ccc(N(c3ccc(-n4ccnn4)cc3)c3ccc(-n4ccnn4)cc3)cc2)nn1.
What is the InChIKey of 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline?
The InChIKey is GUTQUKUGHGUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N10/c1-7-22(8-2-19(1)31-16-13-25-28-31)34(23-9-3-20(4-10-23)32-17-14-26-29-32)24-11-5-21(6-12-24)33-18-15-27-30-33/h1-18H.
What are the key properties of 4-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline?
4-(triazol-1-yl)-N,N-bis[4-(triazol-1-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-(triazol-1-yl)-N,N-bis[4-(triazol-1-yl)phenyl]aniline is sourced from PubChem (CID 146675030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).