1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one

C15H19N3OS — CID 62940942

IUPAC1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one
SMILESCC(C)C(Nc1nccn(C2CC2)c1=O)c1cccs1
InChIInChI=1S/C15H19N3OS/c1-10(2)13(12-4-3-9-20-12)17-14-15(19)18(8-7-16-14)11-5-6-11/h3-4,7-11,13H,5-6H2,1-2H3,(H,16,17)
InChIKeyYDXQGQBJCLPTHR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.45
Rot. Bonds5

About 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one

1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one (PubChem CID 62940942) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one
PubChem CID62940942
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one
SMILESCC(C)C(Nc1nccn(C2CC2)c1=O)c1cccs1
InChIInChI=1S/C15H19N3OS/c1-10(2)13(12-4-3-9-20-12)17-14-15(19)18(8-7-16-14)11-5-6-11/h3-4,7-11,13H,5-6H2,1-2H3,(H,16,17)
InChIKeyYDXQGQBJCLPTHR-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 62938370
1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one
CID 62940516
1-cyclopropyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565317
1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one
CID 83144354
1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one
CID 115917119
1-cyclopropyl-3-(cyclopropylamino)pyrazin-2-one
CID 62939651
3-[(1-amino-3-phenylpropan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 63759970
1-cyclopentyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565332
2-[[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]methyl]-3-methylbutanoic acid
CID 65226552
3-(cyclobutylamino)-1-cyclopropylpyrazin-2-one
CID 62927759
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
3-[(1-chloro-4-methoxybutan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 114211768

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one (CID 62940942) is 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one is CC(C)C(Nc1nccn(C2CC2)c1=O)c1cccs1.
What is the InChIKey of 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one?
The InChIKey is YDXQGQBJCLPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)13(12-4-3-9-20-12)17-14-15(19)18(8-7-16-14)11-5-6-11/h3-4,7-11,13H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one?
1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one has a molecular weight of 289.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one is sourced from PubChem (CID 62940942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).