2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

C21H29N5O — CID 57393714

IUPAC2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1cc(C)n2nc(-c3ccc(N(C)C)nc3C)n(C)c(=O)c12
InChIInChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3
InChIKeySRGCZPTXRKEEME-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.68
Rot. Bonds5

About 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 57393714) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID57393714
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1cc(C)n2nc(-c3ccc(N(C)C)nc3C)n(C)c(=O)c12
InChIInChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3
InChIKeySRGCZPTXRKEEME-UHFFFAOYSA-N
XLogP3.68
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 57393714) is 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCC(CC)c1cc(C)n2nc(-c3ccc(N(C)C)nc3C)n(C)c(=O)c12.
What is the InChIKey of 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SRGCZPTXRKEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-8-15(9-2)17-12-13(3)26-19(17)21(27)25(7)20(23-26)16-10-11-18(24(5)6)22-14(16)4/h10-12,15H,8-9H2,1-7H3.
What are the key properties of 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 367.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-2-methyl-3-pyridinyl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 57393714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).