6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile

C16H12N4S — CID 947875

IUPAC6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile
SMILESN#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3
InChIInChI=1S/C16H12N4S/c17-7-12-15(18)14-13(9-3-2-6-19-8-9)10-4-1-5-11(10)20-16(14)21-12/h2-3,6,8H,1,4-5,18H2
InChIKeyBQCXKGFNZRMOPX-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.30
Rot. Bonds1

About 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile

6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile (PubChem CID 947875) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile.

Molecular Properties

Compound Name6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile
PubChem CID947875
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile
SMILESN#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3
InChIInChI=1S/C16H12N4S/c17-7-12-15(18)14-13(9-3-2-6-19-8-9)10-4-1-5-11(10)20-16(14)21-12/h2-3,6,8H,1,4-5,18H2
InChIKeyBQCXKGFNZRMOPX-UHFFFAOYSA-N
XLogP3.30
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
CID 793761
3-Amino-4-pyridin-3-yl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
CID 706211
3-Amino-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690882
3-Amino-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690864
3-Amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
CID 702313
4-(1H-indol-4-ylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 44449448
4-(1H-indol-5-ylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 44449452
2-(5-((dimethylamino)methyl)pyridin-3-yl)-4-(4-methyl-1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 44570802
2-Butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 118059006
3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
CID 608878
3-Amino-thieno[2,3-b]pyridine-2-carbonitrile
CID 12260765
3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carbonitrile
CID 663574

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile?
The IUPAC name of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile (CID 947875) is 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile.
What is the SMILES notation for 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile?
The canonical SMILES for 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile is N#Cc1sc2nc3c(c(-c4cccnc4)c2c1N)CCC3.
What is the InChIKey of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile?
The InChIKey is BQCXKGFNZRMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c17-7-12-15(18)14-13(9-3-2-6-19-8-9)10-4-1-5-11(10)20-16(14)21-12/h2-3,6,8H,1,4-5,18H2.
What are the key properties of 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile?
6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile has a molecular weight of 292.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-pyridin-3-yl-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carbonitrile is sourced from PubChem (CID 947875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).