6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C16H18N8O — CID 155161855

IUPAC6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCNc1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1
InChIInChI=1S/C16H18N8O/c1-18-16-19-10-12(11-20-16)8-15(25)24-6-4-23(5-7-24)14-3-2-13(9-17)21-22-14/h2-3,10-11H,4-8H2,1H3,(H,18,19,20)
InChIKeyHAZYCTMQTODMRQ-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.07
Rot. Bonds4

About 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 155161855) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID155161855
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCNc1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1
InChIInChI=1S/C16H18N8O/c1-18-16-19-10-12(11-20-16)8-15(25)24-6-4-23(5-7-24)14-3-2-13(9-17)21-22-14/h2-3,10-11H,4-8H2,1H3,(H,18,19,20)
InChIKeyHAZYCTMQTODMRQ-UHFFFAOYSA-N
XLogP0.07
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015122
6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 139547804
2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015130
2-(6-bromo-3-pyridinyl)acetamide;6-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 145426002
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 158263473
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
CID 139547658
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 133418334

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 155161855) is 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is CNc1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cn1.
What is the InChIKey of 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is HAZYCTMQTODMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-18-16-19-10-12(11-20-16)8-15(25)24-6-4-23(5-7-24)14-3-2-13(9-17)21-22-14/h2-3,10-11H,4-8H2,1H3,(H,18,19,20).
What are the key properties of 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 338.38 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 155161855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).