1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide

C9H12N8O2 — CID 80902696

IUPAC1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(NN)nc(OC)n2)n1
InChIInChI=1S/C9H12N8O2/c1-11-6(18)5-3-4-17(16-5)8-12-7(15-10)13-9(14-8)19-2/h3-4H,10H2,1-2H3,(H,11,18)(H,12,13,14,15)
InChIKeyKYQCLKJJVIKBEX-UHFFFAOYSA-N
MW264.25 g/mol
LogP-1.29
Rot. Bonds4

About 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide

1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 80902696) has the molecular formula C9H12N8O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide
PubChem CID80902696
Molecular FormulaC9H12N8O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2nc(NN)nc(OC)n2)n1
InChIInChI=1S/C9H12N8O2/c1-11-6(18)5-3-4-17(16-5)8-12-7(15-10)13-9(14-8)19-2/h3-4H,10H2,1-2H3,(H,11,18)(H,12,13,14,15)
InChIKeyKYQCLKJJVIKBEX-UHFFFAOYSA-N
XLogP-1.29
TPSA132.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide (CID 80902696) is 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2nc(NN)nc(OC)n2)n1.
What is the InChIKey of 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is KYQCLKJJVIKBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O2/c1-11-6(18)5-3-4-17(16-5)8-12-7(15-10)13-9(14-8)19-2/h3-4H,10H2,1-2H3,(H,11,18)(H,12,13,14,15).
What are the key properties of 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide?
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 264.25 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 80902696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).