8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one

C11H10N6O — CID 126628665

IUPAC8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(-n3ccc(N)n3)nccc2c1=O
InChIInChI=1S/C11H10N6O/c1-16-6-14-9-7(11(16)18)2-4-13-10(9)17-5-3-8(12)15-17/h2-6H,1H3,(H2,12,15)
InChIKeyGNYHAKOBDYOWFT-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.10
Rot. Bonds1

About 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one

8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 126628665) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID126628665
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(-n3ccc(N)n3)nccc2c1=O
InChIInChI=1S/C11H10N6O/c1-16-6-14-9-7(11(16)18)2-4-13-10(9)17-5-3-8(12)15-17/h2-6H,1H3,(H2,12,15)
InChIKeyGNYHAKOBDYOWFT-UHFFFAOYSA-N
XLogP0.10
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one (CID 126628665) is 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one is Cn1cnc2c(-n3ccc(N)n3)nccc2c1=O.
What is the InChIKey of 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GNYHAKOBDYOWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-16-6-14-9-7(11(16)18)2-4-13-10(9)17-5-3-8(12)15-17/h2-6H,1H3,(H2,12,15).
What are the key properties of 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one?
8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopyrazol-1-yl)-3-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126628665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).