N,5-diphenyl-2H-triazol-4-amine

C14H12N4 — CID 6401302

IUPACN,5-diphenyl-2H-triazol-4-amine
SMILESc1ccc(Nc2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-14(17-18-16-13)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
InChIKeyACLZPKMBZBHXJZ-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.22
Rot. Bonds3

About N,5-diphenyl-2H-triazol-4-amine

N,5-diphenyl-2H-triazol-4-amine (PubChem CID 6401302) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is N,5-diphenyl-2H-triazol-4-amine.

Molecular Properties

Compound NameN,5-diphenyl-2H-triazol-4-amine
PubChem CID6401302
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC NameN,5-diphenyl-2H-triazol-4-amine
SMILESc1ccc(Nc2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-14(17-18-16-13)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)
InChIKeyACLZPKMBZBHXJZ-UHFFFAOYSA-N
XLogP3.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-2H-triazol-4-amine?
The IUPAC name of N,5-diphenyl-2H-triazol-4-amine (CID 6401302) is N,5-diphenyl-2H-triazol-4-amine.
What is the SMILES notation for N,5-diphenyl-2H-triazol-4-amine?
The canonical SMILES for N,5-diphenyl-2H-triazol-4-amine is c1ccc(Nc2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of N,5-diphenyl-2H-triazol-4-amine?
The InChIKey is ACLZPKMBZBHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-3-7-11(8-4-1)13-14(17-18-16-13)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18).
What are the key properties of N,5-diphenyl-2H-triazol-4-amine?
N,5-diphenyl-2H-triazol-4-amine has a molecular weight of 236.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-2H-triazol-4-amine is sourced from PubChem (CID 6401302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).