4-N,5-N-diphenyl-2H-triazole-4,5-diamine

C14H13N5 — CID 70498142

IUPAC4-N,5-N-diphenyl-2H-triazole-4,5-diamine
SMILESc1ccc(Nc2n[nH]nc2Nc2ccccc2)cc1
InChIInChI=1S/C14H13N5/c1-3-7-11(8-4-1)15-13-14(18-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19)
InChIKeyOBBUBTHKKYANQO-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.29
Rot. Bonds4

About 4-N,5-N-diphenyl-2H-triazole-4,5-diamine

4-N,5-N-diphenyl-2H-triazole-4,5-diamine (PubChem CID 70498142) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-N,5-N-diphenyl-2H-triazole-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-diphenyl-2H-triazole-4,5-diamine
PubChem CID70498142
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-N,5-N-diphenyl-2H-triazole-4,5-diamine
SMILESc1ccc(Nc2n[nH]nc2Nc2ccccc2)cc1
InChIInChI=1S/C14H13N5/c1-3-7-11(8-4-1)15-13-14(18-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19)
InChIKeyOBBUBTHKKYANQO-UHFFFAOYSA-N
XLogP3.29
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-diphenyl-2H-triazole-4,5-diamine?
The IUPAC name of 4-N,5-N-diphenyl-2H-triazole-4,5-diamine (CID 70498142) is 4-N,5-N-diphenyl-2H-triazole-4,5-diamine.
What is the SMILES notation for 4-N,5-N-diphenyl-2H-triazole-4,5-diamine?
The canonical SMILES for 4-N,5-N-diphenyl-2H-triazole-4,5-diamine is c1ccc(Nc2n[nH]nc2Nc2ccccc2)cc1.
What is the InChIKey of 4-N,5-N-diphenyl-2H-triazole-4,5-diamine?
The InChIKey is OBBUBTHKKYANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-3-7-11(8-4-1)15-13-14(18-19-17-13)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18,19).
What are the key properties of 4-N,5-N-diphenyl-2H-triazole-4,5-diamine?
4-N,5-N-diphenyl-2H-triazole-4,5-diamine has a molecular weight of 251.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-diphenyl-2H-triazole-4,5-diamine is sourced from PubChem (CID 70498142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).