2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine

C15H14N8 — CID 101453864

IUPAC2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(Nc2ccc(/N=N/c3ccccc3)cc2)n1
InChIInChI=1S/C15H14N8/c16-13-19-14(17)21-15(20-13)18-10-6-8-12(9-7-10)23-22-11-4-2-1-3-5-11/h1-9H,(H5,16,17,18,19,20,21)/b23-22+
InChIKeyXCCQHCBCCBVOFB-GHVJWSGMSA-N
MW306.33 g/mol
LogP3.19
Rot. Bonds4

About 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 101453864) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID101453864
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(Nc2ccc(/N=N/c3ccccc3)cc2)n1
InChIInChI=1S/C15H14N8/c16-13-19-14(17)21-15(20-13)18-10-6-8-12(9-7-10)23-22-11-4-2-1-3-5-11/h1-9H,(H5,16,17,18,19,20,21)/b23-22+
InChIKeyXCCQHCBCCBVOFB-GHVJWSGMSA-N
XLogP3.19
TPSA127.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenyldiazenylphenyl)-1,3,5-triazin-2-amine
CID 19606814
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 90346186
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
methyl [4,6-bis(4-phenyldiazenylanilino)-1,3,5-triazin-2-yl]methanesulfonate
CID 20766394
N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
CID 71395305
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
N-chloro-4-phenyldiazenylaniline
CID 88790195

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 101453864) is 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(Nc2ccc(/N=N/c3ccccc3)cc2)n1.
What is the InChIKey of 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XCCQHCBCCBVOFB-GHVJWSGMSA-N. The full InChI is InChI=1S/C15H14N8/c16-13-19-14(17)21-15(20-13)18-10-6-8-12(9-7-10)23-22-11-4-2-1-3-5-11/h1-9H,(H5,16,17,18,19,20,21)/b23-22+.
What are the key properties of 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 306.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 101453864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).