(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide

C10H9N7 — CID 71395619

IUPAC(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide
SMILESN#CN=c1nc(N)n(-c2ccccc2)c(N)n1
InChIInChI=1S/C10H9N7/c11-6-14-10-15-8(12)17(9(13)16-10)7-4-2-1-3-5-7/h1-5H,(H4,12,13,14,15,16)
InChIKeyPPZSLLWPZOODPQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP-0.19
Rot. Bonds1

About (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide

(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide (PubChem CID 71395619) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide
PubChem CID71395619
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide
SMILESN#CN=c1nc(N)n(-c2ccccc2)c(N)n1
InChIInChI=1S/C10H9N7/c11-6-14-10-15-8(12)17(9(13)16-10)7-4-2-1-3-5-7/h1-5H,(H4,12,13,14,15,16)
InChIKeyPPZSLLWPZOODPQ-UHFFFAOYSA-N
XLogP-0.19
TPSA118.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide?
The IUPAC name of (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide (CID 71395619) is (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide.
What is the SMILES notation for (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide?
The canonical SMILES for (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide is N#CN=c1nc(N)n(-c2ccccc2)c(N)n1.
What is the InChIKey of (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide?
The InChIKey is PPZSLLWPZOODPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c11-6-14-10-15-8(12)17(9(13)16-10)7-4-2-1-3-5-7/h1-5H,(H4,12,13,14,15,16).
What are the key properties of (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide?
(4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide has a molecular weight of 227.23 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-5-phenyl-1,3,5-triazin-2-ylidene)cyanamide is sourced from PubChem (CID 71395619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).