3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile

C12H12N4S — CID 80510343

IUPAC3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
SMILESCCC(Nc1nnccc1C#N)c1cccs1
InChIInChI=1S/C12H12N4S/c1-2-10(11-4-3-7-17-11)15-12-9(8-13)5-6-14-16-12/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyPECVFQWFKZSVJO-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.97
Rot. Bonds4

About 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile

3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile (PubChem CID 80510343) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
PubChem CID80510343
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
SMILESCCC(Nc1nnccc1C#N)c1cccs1
InChIInChI=1S/C12H12N4S/c1-2-10(11-4-3-7-17-11)15-12-9(8-13)5-6-14-16-12/h3-7,10H,2H2,1H3,(H,15,16)
InChIKeyPECVFQWFKZSVJO-UHFFFAOYSA-N
XLogP2.97
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 80509803
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105
3-(hexan-3-ylamino)pyridazine-4-carbonitrile
CID 80509692
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80509239
2-nitro-5-(1-thiophen-2-ylpropylamino)benzonitrile
CID 115500249
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
CID 106595404
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80510445
2-[4-(1-thiophen-2-ylpropylamino)phenoxy]acetonitrile
CID 43203333
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile
CID 80515024
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile (CID 80510343) is 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile is CCC(Nc1nnccc1C#N)c1cccs1.
What is the InChIKey of 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile?
The InChIKey is PECVFQWFKZSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-10(11-4-3-7-17-11)15-12-9(8-13)5-6-14-16-12/h3-7,10H,2H2,1H3,(H,15,16).
What are the key properties of 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile?
3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).