5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine

C13H12N6 — CID 516630

IUPAC5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine
SMILESCc1nc(C)c2nc(-c3ccncc3)nnc2c1N
InChIInChI=1S/C13H12N6/c1-7-10(14)12-11(8(2)16-7)17-13(19-18-12)9-3-5-15-6-4-9/h3-6H,14H2,1-2H3
InChIKeyHDNSTRPKPZGAGR-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.68
Rot. Bonds1

About 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine

5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine (PubChem CID 516630) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine
PubChem CID516630
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine
SMILESCc1nc(C)c2nc(-c3ccncc3)nnc2c1N
InChIInChI=1S/C13H12N6/c1-7-10(14)12-11(8(2)16-7)17-13(19-18-12)9-3-5-15-6-4-9/h3-6H,14H2,1-2H3
InChIKeyHDNSTRPKPZGAGR-UHFFFAOYSA-N
XLogP1.68
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine?
The IUPAC name of 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine (CID 516630) is 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine.
What is the SMILES notation for 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine?
The canonical SMILES for 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine is Cc1nc(C)c2nc(-c3ccncc3)nnc2c1N.
What is the InChIKey of 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine?
The InChIKey is HDNSTRPKPZGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-7-10(14)12-11(8(2)16-7)17-13(19-18-12)9-3-5-15-6-4-9/h3-6H,14H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine?
5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine has a molecular weight of 252.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine is sourced from PubChem (CID 516630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).