3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile

C9H10N4O2S — CID 62671449

IUPAC3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H10N4O2S/c10-5-8-9(12-3-2-11-8)13-7-1-4-16(14,15)6-7/h2-3,7H,1,4,6H2,(H,12,13)
InChIKeyMWAKHKKKJKQZNM-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.05
Rot. Bonds2

About 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile

3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 62671449) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID62671449
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H10N4O2S/c10-5-8-9(12-3-2-11-8)13-7-1-4-16(14,15)6-7/h2-3,7H,1,4,6H2,(H,12,13)
InChIKeyMWAKHKKKJKQZNM-UHFFFAOYSA-N
XLogP-0.05
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-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-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
6-[(1,1-dioxothiolan-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 103471174
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284387
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62672162
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
6-[(1,1-dioxothian-3-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471684
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
2-bromo-6-[(1,1-dioxothiolan-3-yl)amino]benzonitrile
CID 114880486

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile (CID 62671449) is 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile is N#Cc1nccnc1NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is MWAKHKKKJKQZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-5-8-9(12-3-2-11-8)13-7-1-4-16(14,15)6-7/h2-3,7H,1,4,6H2,(H,12,13).
What are the key properties of 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile?
3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 238.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62671449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).