4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride

C18H17ClN4O2 — CID 6602977

IUPAC4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
SMILESCOc1ccc(-c2c(N)nnc3c2[nH]c2ccccc23)cc1OC.Cl
InChIInChI=1S/C18H16N4O2.ClH/c1-23-13-8-7-10(9-14(13)24-2)15-17-16(21-22-18(15)19)11-5-3-4-6-12(11)20-17;/h3-9,20H,1-2H3,(H2,19,22);1H
InChIKeyJKIBVEMUJYMLRV-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.80
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride

4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride (PubChem CID 6602977) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
PubChem CID6602977
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
SMILESCOc1ccc(-c2c(N)nnc3c2[nH]c2ccccc23)cc1OC.Cl
InChIInChI=1S/C18H16N4O2.ClH/c1-23-13-8-7-10(9-14(13)24-2)15-17-16(21-22-18(15)19)11-5-3-4-6-12(11)20-17;/h3-9,20H,1-2H3,(H2,19,22);1H
InChIKeyJKIBVEMUJYMLRV-UHFFFAOYSA-N
XLogP3.80
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride (CID 6602977) is 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride is COc1ccc(-c2c(N)nnc3c2[nH]c2ccccc23)cc1OC.Cl.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride?
The InChIKey is JKIBVEMUJYMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.ClH/c1-23-13-8-7-10(9-14(13)24-2)15-17-16(21-22-18(15)19)11-5-3-4-6-12(11)20-17;/h3-9,20H,1-2H3,(H2,19,22);1H.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride?
4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride has a molecular weight of 356.81 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride is sourced from PubChem (CID 6602977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).