5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H20N6 — CID 163501692

IUPAC5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1ccn2nc(-c3cccc(C)n3)nc(Nc3ccncc3C)c12
InChIInChI=1S/C20H20N6/c1-4-15-9-11-26-18(15)20(23-16-8-10-21-12-13(16)2)24-19(25-26)17-7-5-6-14(3)22-17/h5-12H,4H2,1-3H3,(H,21,23,24,25)
InChIKeyCVHGNTYYNXBXOF-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.11
Rot. Bonds4

About 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 163501692) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID163501692
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1ccn2nc(-c3cccc(C)n3)nc(Nc3ccncc3C)c12
InChIInChI=1S/C20H20N6/c1-4-15-9-11-26-18(15)20(23-16-8-10-21-12-13(16)2)24-19(25-26)17-7-5-6-14(3)22-17/h5-12H,4H2,1-3H3,(H,21,23,24,25)
InChIKeyCVHGNTYYNXBXOF-UHFFFAOYSA-N
XLogP4.11
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 163501692) is 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCc1ccn2nc(-c3cccc(C)n3)nc(Nc3ccncc3C)c12.
What is the InChIKey of 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CVHGNTYYNXBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-4-15-9-11-26-18(15)20(23-16-8-10-21-12-13(16)2)24-19(25-26)17-7-5-6-14(3)22-17/h5-12H,4H2,1-3H3,(H,21,23,24,25).
What are the key properties of 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 163501692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).