2,4-dimethylpyrimido[1,2-b]indazole

C12H11N3 — CID 2320560

IUPAC2,4-dimethylpyrimido[1,2-b]indazole
SMILESCc1cc(C)n2nc3ccccc3c2n1
InChIInChI=1S/C12H11N3/c1-8-7-9(2)15-12(13-8)10-5-3-4-6-11(10)14-15/h3-7H,1-2H3
InChIKeyHHIBOZOJVJURDY-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.50
Rot. Bonds

About 2,4-dimethylpyrimido[1,2-b]indazole

2,4-dimethylpyrimido[1,2-b]indazole (PubChem CID 2320560) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,4-dimethylpyrimido[1,2-b]indazole.

Molecular Properties

Compound Name2,4-dimethylpyrimido[1,2-b]indazole
PubChem CID2320560
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2,4-dimethylpyrimido[1,2-b]indazole
SMILESCc1cc(C)n2nc3ccccc3c2n1
InChIInChI=1S/C12H11N3/c1-8-7-9(2)15-12(13-8)10-5-3-4-6-11(10)14-15/h3-7H,1-2H3
InChIKeyHHIBOZOJVJURDY-UHFFFAOYSA-N
XLogP2.50
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpyrimido[1,2-b]indazole?
The IUPAC name of 2,4-dimethylpyrimido[1,2-b]indazole (CID 2320560) is 2,4-dimethylpyrimido[1,2-b]indazole.
What is the SMILES notation for 2,4-dimethylpyrimido[1,2-b]indazole?
The canonical SMILES for 2,4-dimethylpyrimido[1,2-b]indazole is Cc1cc(C)n2nc3ccccc3c2n1.
What is the InChIKey of 2,4-dimethylpyrimido[1,2-b]indazole?
The InChIKey is HHIBOZOJVJURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8-7-9(2)15-12(13-8)10-5-3-4-6-11(10)14-15/h3-7H,1-2H3.
What are the key properties of 2,4-dimethylpyrimido[1,2-b]indazole?
2,4-dimethylpyrimido[1,2-b]indazole has a molecular weight of 197.24 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrimido[1,2-b]indazole is sourced from PubChem (CID 2320560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).