6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

C11H12N6O — CID 56906973

IUPAC6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2ncn(CCc3cnc[nH]3)c(=O)c2n1
InChIInChI=1S/C11H12N6O/c1-16-5-9-10(15-16)11(18)17(7-14-9)3-2-8-4-12-6-13-8/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyPXGSDJRCHPVOJY-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.10
Rot. Bonds3

About 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 56906973) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID56906973
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2ncn(CCc3cnc[nH]3)c(=O)c2n1
InChIInChI=1S/C11H12N6O/c1-16-5-9-10(15-16)11(18)17(7-14-9)3-2-8-4-12-6-13-8/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyPXGSDJRCHPVOJY-UHFFFAOYSA-N
XLogP0.10
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (CID 56906973) is 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is Cn1cc2ncn(CCc3cnc[nH]3)c(=O)c2n1.
What is the InChIKey of 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is PXGSDJRCHPVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-16-5-9-10(15-16)11(18)17(7-14-9)3-2-8-4-12-6-13-8/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 244.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 56906973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).