3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile

C16H17N7 — CID 126918704

IUPAC3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C16H17N7/c17-7-13-4-5-19-22-16(13)18-8-11-9-23(10-11)15-6-12-2-1-3-14(12)20-21-15/h4-6,11H,1-3,8-10H2,(H,18,22)
InChIKeyIVENEILIBNPWOX-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.18
Rot. Bonds4

About 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile

3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile (PubChem CID 126918704) has the molecular formula C16H17N7 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
PubChem CID126918704
Molecular FormulaC16H17N7
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C16H17N7/c17-7-13-4-5-19-22-16(13)18-8-11-9-23(10-11)15-6-12-2-1-3-14(12)20-21-15/h4-6,11H,1-3,8-10H2,(H,18,22)
InChIKeyIVENEILIBNPWOX-UHFFFAOYSA-N
XLogP1.18
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 126919446
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
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]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126919428
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-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]furo[2,3-d]pyridazin-7-amine
CID 126919411
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126918682
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126918758
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]cyclopentan-1-ol
CID 126918719

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile (CID 126918704) is 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
The InChIKey is IVENEILIBNPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7/c17-7-13-4-5-19-22-16(13)18-8-11-9-23(10-11)15-6-12-2-1-3-14(12)20-21-15/h4-6,11H,1-3,8-10H2,(H,18,22).
What are the key properties of 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile?
3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 126918704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).