1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile

C19H16N4 — CID 135188054

IUPAC1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile
SMILESN#Cc1ccc2cc(-c3cnnc(C4CC4)c3)n(C3CC3)c2c1
InChIInChI=1S/C19H16N4/c20-10-12-1-2-14-9-19(23(16-5-6-16)18(14)7-12)15-8-17(13-3-4-13)22-21-11-15/h1-2,7-9,11,13,16H,3-6H2
InChIKeyKHZFTWLTZNJLNY-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.18
Rot. Bonds3

About 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile

1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile (PubChem CID 135188054) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile
PubChem CID135188054
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile
SMILESN#Cc1ccc2cc(-c3cnnc(C4CC4)c3)n(C3CC3)c2c1
InChIInChI=1S/C19H16N4/c20-10-12-1-2-14-9-19(23(16-5-6-16)18(14)7-12)15-8-17(13-3-4-13)22-21-11-15/h1-2,7-9,11,13,16H,3-6H2
InChIKeyKHZFTWLTZNJLNY-UHFFFAOYSA-N
XLogP4.18
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-methylindole-6-carbonitrile
CID 115020693
2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluoroindole
CID 135188071
[5-(1-cyclopropyl-6-fluoroindol-2-yl)pyridazin-3-yl]methanol
CID 135188081
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-phenylindole
CID 162400669
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole
CID 135187829
1-cyclopropyl-5,6-difluoro-2-(6-prop-1-en-2-ylpyridazin-4-yl)indole
CID 135187927
1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
CID 65040320
1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
CID 79659766
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
3-cyclopropyl-2-[6-(difluoromethyl)pyridazin-4-yl]imidazo[4,5-b]pyridine-5-carbonitrile
CID 135186265

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile (CID 135188054) is 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile is N#Cc1ccc2cc(-c3cnnc(C4CC4)c3)n(C3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile?
The InChIKey is KHZFTWLTZNJLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c20-10-12-1-2-14-9-19(23(16-5-6-16)18(14)7-12)15-8-17(13-3-4-13)22-21-11-15/h1-2,7-9,11,13,16H,3-6H2.
What are the key properties of 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile?
1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6-cyclopropylpyridazin-4-yl)indole-6-carbonitrile is sourced from PubChem (CID 135188054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).