1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one

C14H16N4O — CID 4891357

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1cc(C)nc(-n2ncc3c2CC(C)CC3=O)n1
InChIInChI=1S/C14H16N4O/c1-8-4-12-11(13(19)5-8)7-15-18(12)14-16-9(2)6-10(3)17-14/h6-8H,4-5H2,1-3H3
InChIKeyJGTWWHGQENOAIG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.04
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one

1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 4891357) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID4891357
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1cc(C)nc(-n2ncc3c2CC(C)CC3=O)n1
InChIInChI=1S/C14H16N4O/c1-8-4-12-11(13(19)5-8)7-15-18(12)14-16-9(2)6-10(3)17-14/h6-8H,4-5H2,1-3H3
InChIKeyJGTWWHGQENOAIG-UHFFFAOYSA-N
XLogP2.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 4891357) is 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one is Cc1cc(C)nc(-n2ncc3c2CC(C)CC3=O)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is JGTWWHGQENOAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-4-12-11(13(19)5-8)7-15-18(12)14-16-9(2)6-10(3)17-14/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 4891357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).