3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile

C17H19N7 — CID 126919446

IUPAC3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C17H19N7/c18-8-14-5-6-20-23-17(14)19-9-12-10-24(11-12)16-7-13-3-1-2-4-15(13)21-22-16/h5-7,12H,1-4,9-11H2,(H,19,23)
InChIKeyQJNCGUSWNALZGL-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.57
Rot. Bonds4

About 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile

3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile (PubChem CID 126919446) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
PubChem CID126919446
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C17H19N7/c18-8-14-5-6-20-23-17(14)19-9-12-10-24(11-12)16-7-13-3-1-2-4-15(13)21-22-16/h5-7,12H,1-4,9-11H2,(H,19,23)
InChIKeyQJNCGUSWNALZGL-UHFFFAOYSA-N
XLogP1.57
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 126918704
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126918702
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126919428
6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 126918567
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]furo[2,3-d]pyridazin-7-amine
CID 126919411
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126918562
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
CID 126918612
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126918682
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 126919393
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile (CID 126919446) is 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is QJNCGUSWNALZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c18-8-14-5-6-20-23-17(14)19-9-12-10-24(11-12)16-7-13-3-1-2-4-15(13)21-22-16/h5-7,12H,1-4,9-11H2,(H,19,23).
What are the key properties of 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 321.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 126919446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).