2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one

C18H15N9O — CID 70922260

IUPAC2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one
SMILESCC(Nc1ncnc2nc[nH]c12)c1nc2cccn2c(=O)n1-c1ccccn1
InChIInChI=1S/C18H15N9O/c1-11(24-16-14-15(21-9-20-14)22-10-23-16)17-25-13-6-4-8-26(13)18(28)27(17)12-5-2-3-7-19-12/h2-11H,1H3,(H2,20,21,22,23,24)
InChIKeyIAZOBTVIIMKYPD-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.72
Rot. Bonds4

About 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one

2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one (PubChem CID 70922260) has the molecular formula C18H15N9O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one
PubChem CID70922260
Molecular FormulaC18H15N9O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one
SMILESCC(Nc1ncnc2nc[nH]c12)c1nc2cccn2c(=O)n1-c1ccccn1
InChIInChI=1S/C18H15N9O/c1-11(24-16-14-15(21-9-20-14)22-10-23-16)17-25-13-6-4-8-26(13)18(28)27(17)12-5-2-3-7-19-12/h2-11H,1H3,(H2,20,21,22,23,24)
InChIKeyIAZOBTVIIMKYPD-UHFFFAOYSA-N
XLogP1.72
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]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

Related Compounds

3-(3,5-difluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 70922299
3-[(1S)-1-phenylethyl]-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 70979544
3-phenyl-2-[1-(7H-purin-6-ylamino)ethyl]imidazo[1,2-a][1,3,5]triazin-4-one
CID 70922429
6-methyl-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 129129564
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
6-fluoro-3-phenyl-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043854
2-[1-(7H-purin-6-ylamino)ethyl]-3H-quinazolin-4-one
CID 136602511
3-anilino-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 73330998
5-chloro-6-fluoro-3-(2-fluorophenyl)-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043919
2-phenyl-3-[1-(7H-purin-6-ylamino)ethyl]-8-pyrazol-1-ylisoquinolin-1-one
CID 77153722
2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;7-fluoro-2-[(1R)-1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 158210915
5-chloro-3-(2-chlorophenyl)-6-fluoro-2-[1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one
CID 118043907

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one (CID 70922260) is 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one is CC(Nc1ncnc2nc[nH]c12)c1nc2cccn2c(=O)n1-c1ccccn1.
What is the InChIKey of 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is IAZOBTVIIMKYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N9O/c1-11(24-16-14-15(21-9-20-14)22-10-23-16)17-25-13-6-4-8-26(13)18(28)27(17)12-5-2-3-7-19-12/h2-11H,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one?
2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 373.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7H-purin-6-ylamino)ethyl]-3-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 70922260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).