4-methyl-1H-pyrimido[1,2-b]indazol-2-one

C11H9N3O — CID 135460475

IUPAC4-methyl-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(=O)[nH]c2c3ccccc3nn12
InChIInChI=1S/C11H9N3O/c1-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14(7)11/h2-6H,1H3,(H,12,15)
InChIKeyCBYHAQUILDBZNF-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.48
Rot. Bonds

About 4-methyl-1H-pyrimido[1,2-b]indazol-2-one

4-methyl-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 135460475) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-methyl-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-methyl-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID135460475
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-methyl-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(=O)[nH]c2c3ccccc3nn12
InChIInChI=1S/C11H9N3O/c1-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14(7)11/h2-6H,1H3,(H,12,15)
InChIKeyCBYHAQUILDBZNF-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
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2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-[6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10265187
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
N-(6-benzyl-1H-indazol-3-yl)butyramide
CID 10266409
(E)-N-(6-(prop-1-enyl)-1H-indazol-3-yl)butyramide
CID 22319483
N-(6-phenethyl-1H-indazol-3-yl)butyramide
CID 22319484
N-(4-fluoro-1-methyl-1H-indazol-3-yl)-4-methylbenzamide
CID 2742951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-methyl-1H-pyrimido[1,2-b]indazol-2-one (CID 135460475) is 4-methyl-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-methyl-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-methyl-1H-pyrimido[1,2-b]indazol-2-one is Cc1cc(=O)[nH]c2c3ccccc3nn12.
What is the InChIKey of 4-methyl-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is CBYHAQUILDBZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14(7)11/h2-6H,1H3,(H,12,15).
What are the key properties of 4-methyl-1H-pyrimido[1,2-b]indazol-2-one?
4-methyl-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 199.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 135460475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).