1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one

C12H12N6O — CID 154606829

IUPAC1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2nc(NCc3cccnc3)[nH]c(=O)c21
InChIInChI=1S/C12H12N6O/c1-18-10-9(7-15-18)16-12(17-11(10)19)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H2,14,16,17,19)
InChIKeyYYKNQVYGJHYXHY-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds3

About 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 154606829) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID154606829
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2nc(NCc3cccnc3)[nH]c(=O)c21
InChIInChI=1S/C12H12N6O/c1-18-10-9(7-15-18)16-12(17-11(10)19)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H2,14,16,17,19)
InChIKeyYYKNQVYGJHYXHY-UHFFFAOYSA-N
XLogP0.66
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606884
5-[(3,4-dichlorophenyl)methylamino]-1-(2-pyridin-3-ylethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606890
5-[(3-chloro-4-methylphenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606746
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006
1-benzyl-5-[(3,4-dichlorophenyl)methylamino]-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154606667
5-[(3,4-dichlorophenyl)methylamino]-1-propan-2-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 151925371
2-[1-[6-oxo-2-(pyridin-3-ylmethylamino)-1H-pyrimidin-4-yl]ethyl]phthalazin-1-one
CID 136671324
1-methyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 18801252
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
5-[(3,4-dichlorophenyl)methylamino]-1-(1,3-dihydroxypropan-2-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 150408456
6,8-dimethyl-3-(pyridin-3-ylmethylamino)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 16761612

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 154606829) is 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cn1ncc2nc(NCc3cccnc3)[nH]c(=O)c21.
What is the InChIKey of 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YYKNQVYGJHYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-18-10-9(7-15-18)16-12(17-11(10)19)14-6-8-3-2-4-13-5-8/h2-5,7H,6H2,1H3,(H2,14,16,17,19).
What are the key properties of 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 256.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyridin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 154606829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).