4-N,5-N-diphenyltriazine-4,5-diamine

C15H13N5 — CID 19364848

IUPAC4-N,5-N-diphenyltriazine-4,5-diamine
SMILESc1ccc(Nc2cnnnc2Nc2ccccc2)cc1
InChIInChI=1S/C15H13N5/c1-3-7-12(8-4-1)17-14-11-16-20-19-15(14)18-13-9-5-2-6-10-13/h1-11H,(H,17,20)(H,16,18,19)
InChIKeyDNMAHXZHSNAFHN-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.36
Rot. Bonds4

About 4-N,5-N-diphenyltriazine-4,5-diamine

4-N,5-N-diphenyltriazine-4,5-diamine (PubChem CID 19364848) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-N,5-N-diphenyltriazine-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-diphenyltriazine-4,5-diamine
PubChem CID19364848
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-N,5-N-diphenyltriazine-4,5-diamine
SMILESc1ccc(Nc2cnnnc2Nc2ccccc2)cc1
InChIInChI=1S/C15H13N5/c1-3-7-12(8-4-1)17-14-11-16-20-19-15(14)18-13-9-5-2-6-10-13/h1-11H,(H,17,20)(H,16,18,19)
InChIKeyDNMAHXZHSNAFHN-UHFFFAOYSA-N
XLogP3.36
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-diphenyltriazine-4,5-diamine?
The IUPAC name of 4-N,5-N-diphenyltriazine-4,5-diamine (CID 19364848) is 4-N,5-N-diphenyltriazine-4,5-diamine.
What is the SMILES notation for 4-N,5-N-diphenyltriazine-4,5-diamine?
The canonical SMILES for 4-N,5-N-diphenyltriazine-4,5-diamine is c1ccc(Nc2cnnnc2Nc2ccccc2)cc1.
What is the InChIKey of 4-N,5-N-diphenyltriazine-4,5-diamine?
The InChIKey is DNMAHXZHSNAFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-3-7-12(8-4-1)17-14-11-16-20-19-15(14)18-13-9-5-2-6-10-13/h1-11H,(H,17,20)(H,16,18,19).
What are the key properties of 4-N,5-N-diphenyltriazine-4,5-diamine?
4-N,5-N-diphenyltriazine-4,5-diamine has a molecular weight of 263.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-diphenyltriazine-4,5-diamine is sourced from PubChem (CID 19364848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).