6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

C14H18N6O — CID 56918696

IUPAC6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1nccn1CCCn1cnc2cn(C)nc2c1=O
InChIInChI=1S/C14H18N6O/c1-3-12-15-5-8-19(12)6-4-7-20-10-16-11-9-18(2)17-13(11)14(20)21/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyNZBAJYIKKOUIPS-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.98
Rot. Bonds5

About 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 56918696) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID56918696
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1nccn1CCCn1cnc2cn(C)nc2c1=O
InChIInChI=1S/C14H18N6O/c1-3-12-15-5-8-19(12)6-4-7-20-10-16-11-9-18(2)17-13(11)14(20)21/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyNZBAJYIKKOUIPS-UHFFFAOYSA-N
XLogP0.98
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one (CID 56918696) is 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is CCc1nccn1CCCn1cnc2cn(C)nc2c1=O.
What is the InChIKey of 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is NZBAJYIKKOUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-12-15-5-8-19(12)6-4-7-20-10-16-11-9-18(2)17-13(11)14(20)21/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one?
6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 286.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-ethylimidazol-1-yl)propyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 56918696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).