6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine

C18H20N6 — CID 67364062

IUPAC6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCCN(C)c1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1
InChIInChI=1S/C18H20N6/c1-4-24(3)15-11-14(10-12(2)20-15)17-16(21-18(19)23-22-17)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H2,19,21,23)
InChIKeyGZDFWPBGCOLWDW-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.95
Rot. Bonds4

About 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine

6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 67364062) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID67364062
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCCN(C)c1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1
InChIInChI=1S/C18H20N6/c1-4-24(3)15-11-14(10-12(2)20-15)17-16(21-18(19)23-22-17)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H2,19,21,23)
InChIKeyGZDFWPBGCOLWDW-UHFFFAOYSA-N
XLogP2.95
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine (CID 67364062) is 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is CCN(C)c1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1.
What is the InChIKey of 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is GZDFWPBGCOLWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-4-24(3)15-11-14(10-12(2)20-15)17-16(21-18(19)23-22-17)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H2,19,21,23).
What are the key properties of 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 320.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(methyl)amino]-6-methyl-4-pyridinyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 67364062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).