3-piperazin-1-ylpyridazine-4-carbonitrile

C9H11N5 — CID 80507407

IUPAC3-piperazin-1-ylpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCNCC1
InChIInChI=1S/C9H11N5/c10-7-8-1-2-12-13-9(8)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChIKeyZSNZSAOBHGNTAX-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.24
Rot. Bonds1

About 3-piperazin-1-ylpyridazine-4-carbonitrile

3-piperazin-1-ylpyridazine-4-carbonitrile (PubChem CID 80507407) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-piperazin-1-ylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-piperazin-1-ylpyridazine-4-carbonitrile
PubChem CID80507407
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3-piperazin-1-ylpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCNCC1
InChIInChI=1S/C9H11N5/c10-7-8-1-2-12-13-9(8)14-5-3-11-4-6-14/h1-2,11H,3-6H2
InChIKeyZSNZSAOBHGNTAX-UHFFFAOYSA-N
XLogP-0.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322
3-(1,3-dihydroisoindol-2-yl)pyridazine-4-carbonitrile
CID 80509508
3-(4-methyl-3-oxopiperazin-1-yl)pyridazine-4-carbonitrile
CID 80509734
3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 80509834
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-(2,6-dimethylthiomorpholin-4-yl)pyridazine-4-carbonitrile
CID 80509567
3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)pyridazine-4-carbonitrile
CID 80516202
1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
CID 80508256
3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 114536895
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile
CID 176928271
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpyridazine-4-carbonitrile?
The IUPAC name of 3-piperazin-1-ylpyridazine-4-carbonitrile (CID 80507407) is 3-piperazin-1-ylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-piperazin-1-ylpyridazine-4-carbonitrile?
The canonical SMILES for 3-piperazin-1-ylpyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpyridazine-4-carbonitrile?
The InChIKey is ZSNZSAOBHGNTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-7-8-1-2-12-13-9(8)14-5-3-11-4-6-14/h1-2,11H,3-6H2.
What are the key properties of 3-piperazin-1-ylpyridazine-4-carbonitrile?
3-piperazin-1-ylpyridazine-4-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpyridazine-4-carbonitrile is sourced from PubChem (CID 80507407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).