1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one

C11H10N4O — CID 65356666

IUPAC1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ncccn1
InChIInChI=1S/C11H10N4O/c16-10-4-1-3-9-8(10)7-14-15(9)11-12-5-2-6-13-11/h2,5-7H,1,3-4H2
InChIKeyHCJDQUYMZRBYEU-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.18
Rot. Bonds1

About 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one

1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 65356666) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID65356666
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1cnn2-c1ncccn1
InChIInChI=1S/C11H10N4O/c16-10-4-1-3-9-8(10)7-14-15(9)11-12-5-2-6-13-11/h2,5-7H,1,3-4H2
InChIKeyHCJDQUYMZRBYEU-UHFFFAOYSA-N
XLogP1.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 65356666) is 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1cnn2-c1ncccn1.
What is the InChIKey of 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is HCJDQUYMZRBYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-10-4-1-3-9-8(10)7-14-15(9)11-12-5-2-6-13-11/h2,5-7H,1,3-4H2.
What are the key properties of 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 214.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 65356666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).