6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

C12H17N7 — CID 80927617

IUPAC6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C12H17N7/c1-18(2)11-14-10(17-13)15-12(16-11)19(3)9-7-5-4-6-8-9/h4-8H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyGCVRPCAMPOSKLV-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.99
Rot. Bonds4

About 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 80927617) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID80927617
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C12H17N7/c1-18(2)11-14-10(17-13)15-12(16-11)19(3)9-7-5-4-6-8-9/h4-8H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyGCVRPCAMPOSKLV-UHFFFAOYSA-N
XLogP0.99
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
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 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 80927617) is 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GCVRPCAMPOSKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-18(2)11-14-10(17-13)15-12(16-11)19(3)9-7-5-4-6-8-9/h4-8H,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80927617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).