2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C22H24N6O4 — CID 58677715

IUPAC2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cn1
InChIInChI=1S/C22H24N6O4/c1-12-19-22(25-15-9-16(29-3)20(32-6)17(10-15)30-4)26-21(27-28(19)13(2)24-12)14-7-8-18(31-5)23-11-14/h7-11H,1-6H3,(H,25,26,27)
InChIKeyAIJFTHHNQYADIK-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.58
Rot. Bonds7

About 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 58677715) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID58677715
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cn1
InChIInChI=1S/C22H24N6O4/c1-12-19-22(25-15-9-16(29-3)20(32-6)17(10-15)30-4)26-21(27-28(19)13(2)24-12)14-7-8-18(31-5)23-11-14/h7-11H,1-6H3,(H,25,26,27)
InChIKeyAIJFTHHNQYADIK-UHFFFAOYSA-N
XLogP3.58
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 58677715) is 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is COc1ccc(-c2nc(Nc3cc(OC)c(OC)c(OC)c3)c3c(C)nc(C)n3n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is AIJFTHHNQYADIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-12-19-22(25-15-9-16(29-3)20(32-6)17(10-15)30-4)26-21(27-28(19)13(2)24-12)14-7-8-18(31-5)23-11-14/h7-11H,1-6H3,(H,25,26,27).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 436.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58677715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).