1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine

C11H12ClN3 — CID 86752616

IUPAC1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine
SMILESCc1nnc(Cl)c2cc3n(c12)CCCC3
InChIInChI=1S/C11H12ClN3/c1-7-10-9(11(12)14-13-7)6-8-4-2-3-5-15(8)10/h6H,2-5H2,1H3
InChIKeyCJMPJDXHBRVTAK-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.73
Rot. Bonds

About 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine

1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine (PubChem CID 86752616) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine.

Molecular Properties

Compound Name1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine
PubChem CID86752616
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine
SMILESCc1nnc(Cl)c2cc3n(c12)CCCC3
InChIInChI=1S/C11H12ClN3/c1-7-10-9(11(12)14-13-7)6-8-4-2-3-5-15(8)10/h6H,2-5H2,1H3
InChIKeyCJMPJDXHBRVTAK-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine?
The IUPAC name of 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine (CID 86752616) is 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine.
What is the SMILES notation for 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine?
The canonical SMILES for 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine is Cc1nnc(Cl)c2cc3n(c12)CCCC3.
What is the InChIKey of 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine?
The InChIKey is CJMPJDXHBRVTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-10-9(11(12)14-13-7)6-8-4-2-3-5-15(8)10/h6H,2-5H2,1H3.
What are the key properties of 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine?
1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine has a molecular weight of 221.69 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine is sourced from PubChem (CID 86752616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).