5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile

C17H19N5O2 — CID 133279903

IUPAC5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C#N)CC2)o1
InChIInChI=1S/C17H19N5O2/c1-11-4-5-15(24-11)17(23)22-8-6-21(7-9-22)16-14(10-18)12(2)13(3)19-20-16/h4-5H,6-9H2,1-3H3
InChIKeyJIIUNJIFYKYGIK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.83
Rot. Bonds2

About 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133279903) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133279903
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C#N)CC2)o1
InChIInChI=1S/C17H19N5O2/c1-11-4-5-15(24-11)17(23)22-8-6-21(7-9-22)16-14(10-18)12(2)13(3)19-20-16/h4-5H,6-9H2,1-3H3
InChIKeyJIIUNJIFYKYGIK-UHFFFAOYSA-N
XLogP1.83
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279735
3-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279741
5,6-dimethyl-3-[4-(3-phenylbutanoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 47072340
5-fluoro-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]benzonitrile
CID 71996595
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401
3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279897
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 133360859
5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279892
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
3-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 47089440
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089496
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 133279903) is 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile is Cc1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C#N)CC2)o1.
What is the InChIKey of 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is JIIUNJIFYKYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-4-5-15(24-11)17(23)22-8-6-21(7-9-22)16-14(10-18)12(2)13(3)19-20-16/h4-5H,6-9H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 325.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133279903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).