3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine

C18H14N4 — CID 58283656

IUPAC3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine
SMILESNC1=NCc2nnc(-c3ccccc3)c(-c3ccccc3)c21
InChIInChI=1S/C18H14N4/c19-18-16-14(11-20-18)21-22-17(13-9-5-2-6-10-13)15(16)12-7-3-1-4-8-12/h1-10H,11H2,(H2,19,20)
InChIKeyKCADTSOFTLLNGD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.03
Rot. Bonds2

About 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine

3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine (PubChem CID 58283656) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine.

Molecular Properties

Compound Name3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine
PubChem CID58283656
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine
SMILESNC1=NCc2nnc(-c3ccccc3)c(-c3ccccc3)c21
InChIInChI=1S/C18H14N4/c19-18-16-14(11-20-18)21-22-17(13-9-5-2-6-10-13)15(16)12-7-3-1-4-8-12/h1-10H,11H2,(H2,19,20)
InChIKeyKCADTSOFTLLNGD-UHFFFAOYSA-N
XLogP3.03
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4,5,6-triphenylpyridazine
CID 134975275
5-(4-methylphenyl)-4,6-diphenyltriazine
CID 13483660
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
4,5-bis(4-phenylphenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538872
5-hydrazinyl-2-phenylbenzene-1,3-diamine
CID 163437393
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
CID 135837392
4-(1-phenyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-4-yl)aniline
CID 121289160
5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 85068677
5-chloro-3,4-diphenylpyridazine
CID 70481559
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
12,13-diphenyl-8-thia-3,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-amine
CID 101110536

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine?
The IUPAC name of 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine (CID 58283656) is 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine.
What is the SMILES notation for 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine?
The canonical SMILES for 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine is NC1=NCc2nnc(-c3ccccc3)c(-c3ccccc3)c21.
What is the InChIKey of 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine?
The InChIKey is KCADTSOFTLLNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-18-16-14(11-20-18)21-22-17(13-9-5-2-6-10-13)15(16)12-7-3-1-4-8-12/h1-10H,11H2,(H2,19,20).
What are the key properties of 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine?
3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine has a molecular weight of 286.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-7H-pyrrolo[3,4-c]pyridazin-5-amine is sourced from PubChem (CID 58283656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).