3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide

C12H14N6O — CID 3067016

IUPAC3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccc2)nc1NC
InChIInChI=1S/C12H14N6O/c1-13-10-9(11(19)14-2)17-18-12(16-10)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,19)(H2,13,15,16,18)
InChIKeyFJAQXDGWNUDZGG-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.02
Rot. Bonds4

About 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide

3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide (PubChem CID 3067016) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
PubChem CID3067016
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccc2)nc1NC
InChIInChI=1S/C12H14N6O/c1-13-10-9(11(19)14-2)17-18-12(16-10)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,19)(H2,13,15,16,18)
InChIKeyFJAQXDGWNUDZGG-UHFFFAOYSA-N
XLogP1.02
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide (CID 3067016) is 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide is CNC(=O)c1nnc(Nc2ccccc2)nc1NC.
What is the InChIKey of 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide?
The InChIKey is FJAQXDGWNUDZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-13-10-9(11(19)14-2)17-18-12(16-10)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,19)(H2,13,15,16,18).
What are the key properties of 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide?
3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide has a molecular weight of 258.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 3067016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).