formamide;6-phenyl-1,3,5-triazine-2,4-diamine

C10H12N6O — CID 90097398

IUPACformamide;6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNC=O.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH3NO/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1-3/h1-5H,(H4,10,11,12,13,14);1H,(H2,2,3)
InChIKeyDWKIRCRQRQJCQU-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.20
Rot. Bonds1

About formamide;6-phenyl-1,3,5-triazine-2,4-diamine

formamide;6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 90097398) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is formamide;6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameformamide;6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID90097398
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Nameformamide;6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNC=O.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH3NO/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1-3/h1-5H,(H4,10,11,12,13,14);1H,(H2,2,3)
InChIKeyDWKIRCRQRQJCQU-UHFFFAOYSA-N
XLogP-0.20
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of formamide;6-phenyl-1,3,5-triazine-2,4-diamine (CID 90097398) is formamide;6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for formamide;6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for formamide;6-phenyl-1,3,5-triazine-2,4-diamine is NC=O.Nc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of formamide;6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DWKIRCRQRQJCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5.CH3NO/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1-3/h1-5H,(H4,10,11,12,13,14);1H,(H2,2,3).
What are the key properties of formamide;6-phenyl-1,3,5-triazine-2,4-diamine?
formamide;6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 232.25 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90097398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).