6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine

C24H28N6O2 — CID 142851772

IUPAC6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine
SMILESCOc1cc(OCN)ccc1-n1c(C)c2c(C)nnc(NCc3ccc(C)cc3)c2c1N
InChIInChI=1S/C24H28N6O2/c1-14-5-7-17(8-6-14)12-27-24-22-21(15(2)28-29-24)16(3)30(23(22)26)19-10-9-18(32-13-25)11-20(19)31-4/h5-11H,12-13,25-26H2,1-4H3,(H,27,29)
InChIKeyGXNZZCUYIUMIEG-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.84
Rot. Bonds7

About 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine

6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine (PubChem CID 142851772) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine
PubChem CID142851772
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine
SMILESCOc1cc(OCN)ccc1-n1c(C)c2c(C)nnc(NCc3ccc(C)cc3)c2c1N
InChIInChI=1S/C24H28N6O2/c1-14-5-7-17(8-6-14)12-27-24-22-21(15(2)28-29-24)16(3)30(23(22)26)19-10-9-18(32-13-25)11-20(19)31-4/h5-11H,12-13,25-26H2,1-4H3,(H,27,29)
InChIKeyGXNZZCUYIUMIEG-UHFFFAOYSA-N
XLogP3.84
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine?
The IUPAC name of 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine (CID 142851772) is 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine.
What is the SMILES notation for 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine?
The canonical SMILES for 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine is COc1cc(OCN)ccc1-n1c(C)c2c(C)nnc(NCc3ccc(C)cc3)c2c1N.
What is the InChIKey of 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine?
The InChIKey is GXNZZCUYIUMIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-14-5-7-17(8-6-14)12-27-24-22-21(15(2)28-29-24)16(3)30(23(22)26)19-10-9-18(32-13-25)11-20(19)31-4/h5-11H,12-13,25-26H2,1-4H3,(H,27,29).
What are the key properties of 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine?
6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine has a molecular weight of 432.53 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethoxy)-2-methoxyphenyl]-1,7-dimethyl-4-N-[(4-methylphenyl)methyl]pyrrolo[3,4-d]pyridazine-4,5-diamine is sourced from PubChem (CID 142851772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).