5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H15N7 — CID 176718574

IUPAC5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(-c2ccncc2)cn2nc(-c3nccn3C)nc(N)c12
InChIInChI=1S/C16H15N7/c1-10-12(11-3-5-18-6-4-11)9-23-13(10)14(17)20-15(21-23)16-19-7-8-22(16)2/h3-9H,1-2H3,(H2,17,20,21)
InChIKeyLQNOFGDPLOUZKI-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.08
Rot. Bonds2

About 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 176718574) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID176718574
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(-c2ccncc2)cn2nc(-c3nccn3C)nc(N)c12
InChIInChI=1S/C16H15N7/c1-10-12(11-3-5-18-6-4-11)9-23-13(10)14(17)20-15(21-23)16-19-7-8-22(16)2/h3-9H,1-2H3,(H2,17,20,21)
InChIKeyLQNOFGDPLOUZKI-UHFFFAOYSA-N
XLogP2.08
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 176718574) is 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(-c2ccncc2)cn2nc(-c3nccn3C)nc(N)c12.
What is the InChIKey of 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LQNOFGDPLOUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-10-12(11-3-5-18-6-4-11)9-23-13(10)14(17)20-15(21-23)16-19-7-8-22(16)2/h3-9H,1-2H3,(H2,17,20,21).
What are the key properties of 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 305.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 176718574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).