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

C10H11N3O — CID 135590498

IUPAC7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1ccn2nc3c(c2[nH]1)CCCC3
InChIInChI=1S/C10H11N3O/c14-9-5-6-13-10(11-9)7-3-1-2-4-8(7)12-13/h5-6H,1-4H2,(H,11,14)
InChIKeyMODHGGCBPWNPQK-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.90
Rot. Bonds

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

7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one (PubChem CID 135590498) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
PubChem CID135590498
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
SMILESO=c1ccn2nc3c(c2[nH]1)CCCC3
InChIInChI=1S/C10H11N3O/c14-9-5-6-13-10(11-9)7-3-1-2-4-8(7)12-13/h5-6H,1-4H2,(H,11,14)
InChIKeyMODHGGCBPWNPQK-UHFFFAOYSA-N
XLogP0.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10118930, Example 333
CID 137018656
2-Ethyl-3,7-dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135456526
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 136565682
1,3-dimethyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686633
3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734239
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-3-sulfanylpropanamide
CID 177681311
3-acetyl-4-methyl-7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one
CID 135590614
N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
CID 59820669
N-(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)-2-methylprop-2-enamide
CID 90927868
ethane;N-methyl-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetamide
CID 91251822
2-Phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135670831
2,3-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 136040424

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one (CID 135590498) is 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one is O=c1ccn2nc3c(c2[nH]1)CCCC3.
What is the InChIKey of 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
The InChIKey is MODHGGCBPWNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-9-5-6-13-10(11-9)7-3-1-2-4-8(7)12-13/h5-6H,1-4H2,(H,11,14).
What are the key properties of 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one?
7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-1H-pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 135590498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).