1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one

C12H19N3O — CID 62940516

IUPAC1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one
SMILESCCCC(C)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-3-4-9(2)14-11-12(16)15(8-7-13-11)10-5-6-10/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyKERIQQOKDDJJPN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds5

About 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one

1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one (PubChem CID 62940516) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one
PubChem CID62940516
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one
SMILESCCCC(C)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-3-4-9(2)14-11-12(16)15(8-7-13-11)10-5-6-10/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyKERIQQOKDDJJPN-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 62938370
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
methyl 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]propanoate
CID 62938795
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazin-2-one
CID 113356058
1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
CID 115326088
3-[(1-chloro-4-methoxybutan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 114211768
1-cyclopropyl-3-(2,3,3-trimethylbutylamino)pyrazin-2-one
CID 83144354
3-[(4-chloro-2-methylbutyl)amino]-1-cyclopropylpyrazin-2-one
CID 66089237
1-cyclopropyl-3-(2-ethoxypropylamino)pyrazin-2-one
CID 113353757
1-cyclopropyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyrazin-2-one
CID 62940942
1-cyclopropyl-3-(3-methylsulfinylbutylamino)pyrazin-2-one
CID 113353769
1-cyclopropyl-3-(cyclopropylamino)pyrazin-2-one
CID 62939651

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one (CID 62940516) is 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one is CCCC(C)Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one?
The InChIKey is KERIQQOKDDJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-9(2)14-11-12(16)15(8-7-13-11)10-5-6-10/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one?
1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(pentan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 62940516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).