2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H16FN7 — CID 80916377

IUPAC2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(NN)nc(N(C)C)n2)c(F)c1
InChIInChI=1S/C12H16FN7/c1-7-4-5-9(8(13)6-7)15-10-16-11(19-14)18-12(17-10)20(2)3/h4-6H,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUPACCKNDUQDSID-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.41
Rot. Bonds4

About 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80916377) has the molecular formula C12H16FN7 and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80916377
Molecular FormulaC12H16FN7
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(NN)nc(N(C)C)n2)c(F)c1
InChIInChI=1S/C12H16FN7/c1-7-4-5-9(8(13)6-7)15-10-16-11(19-14)18-12(17-10)20(2)3/h4-6H,14H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyUPACCKNDUQDSID-UHFFFAOYSA-N
XLogP1.41
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80916377) is 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(NN)nc(N(C)C)n2)c(F)c1.
What is the InChIKey of 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UPACCKNDUQDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN7/c1-7-4-5-9(8(13)6-7)15-10-16-11(19-14)18-12(17-10)20(2)3/h4-6H,14H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80916377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).