1-chloro-4-methyl-5H-pyridazino[4,5-b]indole

C11H8ClN3 — CID 71596891

IUPAC1-chloro-4-methyl-5H-pyridazino[4,5-b]indole
SMILESCc1nnc(Cl)c2c1[nH]c1ccccc12
InChIInChI=1S/C11H8ClN3/c1-6-10-9(11(12)15-14-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3
InChIKeyFZSYCCCULCGQRO-UHFFFAOYSA-N
MW217.66 g/mol
LogP3.07
Rot. Bonds

About 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole

1-chloro-4-methyl-5H-pyridazino[4,5-b]indole (PubChem CID 71596891) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole.

Molecular Properties

Compound Name1-chloro-4-methyl-5H-pyridazino[4,5-b]indole
PubChem CID71596891
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name1-chloro-4-methyl-5H-pyridazino[4,5-b]indole
SMILESCc1nnc(Cl)c2c1[nH]c1ccccc12
InChIInChI=1S/C11H8ClN3/c1-6-10-9(11(12)15-14-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3
InChIKeyFZSYCCCULCGQRO-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6198020
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3-(6-chloropyridazin-3-yl)-1H-indole
CID 2763611
Quindoline
CID 98912
4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
CID 5272072
5-Methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929094
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-1H-indole
CID 4266993
7-chloro-3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 848986
7-chloro-3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazine
CID 848987
3-(1h-Indol-2-yl)-1h-indazole
CID 135409238
6-Chloro-11H-indolo[3,2-c]quinoline
CID 5410307
11-methyl-10H-indolo[3,2-b]quinoline
CID 10657209

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole?
The IUPAC name of 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole (CID 71596891) is 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole.
What is the SMILES notation for 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole?
The canonical SMILES for 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole is Cc1nnc(Cl)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole?
The InChIKey is FZSYCCCULCGQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c1-6-10-9(11(12)15-14-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3.
What are the key properties of 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole?
1-chloro-4-methyl-5H-pyridazino[4,5-b]indole has a molecular weight of 217.66 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-5H-pyridazino[4,5-b]indole is sourced from PubChem (CID 71596891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).