3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine

C9H13N3 — CID 130335702

IUPAC3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine
SMILESCc1cc2c(nn1)C(C)C(C)N2
InChIInChI=1S/C9H13N3/c1-5-4-8-9(12-11-5)6(2)7(3)10-8/h4,6-7,10H,1-3H3
InChIKeyVLTWRRWMTSCWKD-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.70
Rot. Bonds

About 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine

3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine (PubChem CID 130335702) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine
PubChem CID130335702
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine
SMILESCc1cc2c(nn1)C(C)C(C)N2
InChIInChI=1S/C9H13N3/c1-5-4-8-9(12-11-5)6(2)7(3)10-8/h4,6-7,10H,1-3H3
InChIKeyVLTWRRWMTSCWKD-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1h-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-(1-methylethyl)-3-phenyl-
CID 44383991
2-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine hydrochloride
CID 155973271
3-Chloro-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine
CID 86724014
3-[(2,4-Difluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
CID 70980229
2-Phenyl-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrazine
CID 72698953
3-[(4-Fluorophenyl)methyl]-6,7-dihydro-7,7-dimethyl-5H-pyrrolo[3,2-c]pyridazine
CID 90102795
3-(1,1-Difluorobutyl)-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
CID 118364274
2-(2,4-Difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 121484578
7-Ethyl-2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 144845748
(7R)-3-(3,5-difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 146456643
3-(3,5-Difluorophenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 146456644
(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 146457068

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine?
The IUPAC name of 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine (CID 130335702) is 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine?
The canonical SMILES for 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine is Cc1cc2c(nn1)C(C)C(C)N2.
What is the InChIKey of 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine?
The InChIKey is VLTWRRWMTSCWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-4-8-9(12-11-5)6(2)7(3)10-8/h4,6-7,10H,1-3H3.
What are the key properties of 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine?
3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine has a molecular weight of 163.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 130335702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).