3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one

C13H13N3O — CID 15355755

IUPAC3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CCC2
InChIInChI=1S/C13H13N3O/c1-9-13-10(5-4-6-11(13)17)16(15-9)12-7-2-3-8-14-12/h2-3,7-8H,4-6H2,1H3
InChIKeyKLVBBPJBDDVKTD-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.09
Rot. Bonds1

About 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one

3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 15355755) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID15355755
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccn2)c2c1C(=O)CCC2
InChIInChI=1S/C13H13N3O/c1-9-13-10(5-4-6-11(13)17)16(15-9)12-7-2-3-8-14-12/h2-3,7-8H,4-6H2,1H3
InChIKeyKLVBBPJBDDVKTD-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 15355755) is 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccccn2)c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KLVBBPJBDDVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-13-10(5-4-6-11(13)17)16(15-9)12-7-2-3-8-14-12/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one?
3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 227.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 15355755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).