4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one

C11H13N3O — CID 135590497

IUPAC4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(=O)[nH]c2c3c(nn12)CCCC3
InChIInChI=1S/C11H13N3O/c1-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14(7)11/h6H,2-5H2,1H3,(H,12,15)
InChIKeyAGWILPMKXLITGI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.21
Rot. Bonds

About 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one

4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 135590497) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID135590497
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
SMILESCc1cc(=O)[nH]c2c3c(nn12)CCCC3
InChIInChI=1S/C11H13N3O/c1-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14(7)11/h6H,2-5H2,1H3,(H,12,15)
InChIKeyAGWILPMKXLITGI-UHFFFAOYSA-N
XLogP1.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
2-(2,3-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 162677010
4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
CID 162655129
2-(3-ethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-4(3H)-one
CID 162671888
7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135418889
US10118930, Example 30
CID 137018250
US10118930, Example 333
CID 137018656
US10118930, Example 368
CID 137018693
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135892136
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135984532
4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
CID 162658680
2-Ethyl-3,7-dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135456526

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one (CID 135590497) is 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one is Cc1cc(=O)[nH]c2c3c(nn12)CCCC3.
What is the InChIKey of 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is AGWILPMKXLITGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-6-10(15)12-11-8-4-2-3-5-9(8)13-14(7)11/h6H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 135590497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).