1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile

C14H16N6 — CID 134071697

IUPAC1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile
SMILESCc1ccc(N2CCCc3c(C#N)nn(C)c3C2)nn1
InChIInChI=1S/C14H16N6/c1-10-5-6-14(17-16-10)20-7-3-4-11-12(8-15)18-19(2)13(11)9-20/h5-6H,3-4,7,9H2,1-2H3
InChIKeySUEBPKLMSMSKTF-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.34
Rot. Bonds1

About 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile

1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile (PubChem CID 134071697) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile
PubChem CID134071697
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile
SMILESCc1ccc(N2CCCc3c(C#N)nn(C)c3C2)nn1
InChIInChI=1S/C14H16N6/c1-10-5-6-14(17-16-10)20-7-3-4-11-12(8-15)18-19(2)13(11)9-20/h5-6H,3-4,7,9H2,1-2H3
InChIKeySUEBPKLMSMSKTF-UHFFFAOYSA-N
XLogP1.34
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile with MolForge

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Related Compounds

4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
1-(6-methylpyridazin-3-yl)piperidin-4-one
CID 61314103
1-tert-butyl-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 108773670
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 145197934
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propanenitrile
CID 145197896
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile?
The IUPAC name of 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile (CID 134071697) is 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile.
What is the SMILES notation for 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile?
The canonical SMILES for 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile is Cc1ccc(N2CCCc3c(C#N)nn(C)c3C2)nn1.
What is the InChIKey of 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile?
The InChIKey is SUEBPKLMSMSKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-5-6-14(17-16-10)20-7-3-4-11-12(8-15)18-19(2)13(11)9-20/h5-6H,3-4,7,9H2,1-2H3.
What are the key properties of 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile?
1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(6-methylpyridazin-3-yl)-4,5,6,8-tetrahydropyrazolo[5,4-c]azepine-3-carbonitrile is sourced from PubChem (CID 134071697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).