3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile

C15H12N4O — CID 165172486

IUPAC3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
SMILESCCn1nc(-c2c[nH]c3c(C#N)cccc23)ccc1=O
InChIInChI=1S/C15H12N4O/c1-2-19-14(20)7-6-13(18-19)12-9-17-15-10(8-16)4-3-5-11(12)15/h3-7,9,17H,2H2,1H3
InChIKeyIPGIMFVJBIWWDO-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.28
Rot. Bonds2

About 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile

3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile (PubChem CID 165172486) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
PubChem CID165172486
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile
SMILESCCn1nc(-c2c[nH]c3c(C#N)cccc23)ccc1=O
InChIInChI=1S/C15H12N4O/c1-2-19-14(20)7-6-13(18-19)12-9-17-15-10(8-16)4-3-5-11(12)15/h3-7,9,17H,2H2,1H3
InChIKeyIPGIMFVJBIWWDO-UHFFFAOYSA-N
XLogP2.28
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105447
3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350661
4-(1-ethyl-6-oxopyridazin-3-yl)benzonitrile
CID 82105450
3-butanoyl-4-oxo-1H-quinoline-8-carbonitrile
CID 164662856
3-[6-ethyl-5-(1-iodopyrrolidin-3-yl)oxypyrazin-2-yl]-1H-indole-7-carbonitrile
CID 170365334
3-[5-amino-6-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167350794
3-(2-methylpropanoyl)-1H-indole-7-carbonitrile
CID 83885759
3-[6-methyl-5-(2H-1,3-oxazol-3-ylamino)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 175417583
3-[4-amino-5-(difluoromethoxy)-2-pyridinyl]-1H-indole-7-carbonitrile
CID 167351121
[1-[[5-(7-cyano-1H-indol-3-yl)-3-methylpyrazin-2-yl]oxymethyl]cyclopropyl] hypoiodite
CID 170365417
3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole-7-carbonitrile
CID 176569727
8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
CID 53264499

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile?
The IUPAC name of 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile (CID 165172486) is 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile?
The canonical SMILES for 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile is CCn1nc(-c2c[nH]c3c(C#N)cccc23)ccc1=O.
What is the InChIKey of 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile?
The InChIKey is IPGIMFVJBIWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-19-14(20)7-6-13(18-19)12-9-17-15-10(8-16)4-3-5-11(12)15/h3-7,9,17H,2H2,1H3.
What are the key properties of 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile?
3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-6-oxopyridazin-3-yl)-1H-indole-7-carbonitrile is sourced from PubChem (CID 165172486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).