5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide

C12H16N4S — CID 64520758

IUPAC5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(N(CC2CC2)C2CC2)cn1
InChIInChI=1S/C12H16N4S/c13-12(17)10-5-15-11(6-14-10)16(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H2,13,17)
InChIKeyIRWKYWSRWGJAJY-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.49
Rot. Bonds5

About 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide

5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide (PubChem CID 64520758) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide.

Molecular Properties

Compound Name5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide
PubChem CID64520758
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide
SMILESNC(=S)c1cnc(N(CC2CC2)C2CC2)cn1
InChIInChI=1S/C12H16N4S/c13-12(17)10-5-15-11(6-14-10)16(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H2,13,17)
InChIKeyIRWKYWSRWGJAJY-UHFFFAOYSA-N
XLogP1.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide?
The IUPAC name of 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide (CID 64520758) is 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide.
What is the SMILES notation for 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide?
The canonical SMILES for 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide is NC(=S)c1cnc(N(CC2CC2)C2CC2)cn1.
What is the InChIKey of 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide?
The InChIKey is IRWKYWSRWGJAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-12(17)10-5-15-11(6-14-10)16(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2,(H2,13,17).
What are the key properties of 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide?
5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide has a molecular weight of 248.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(cyclopropylmethyl)amino]pyrazine-2-carbothioamide is sourced from PubChem (CID 64520758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).