3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

C12H21N3O — CID 62939478

IUPAC3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCC(C)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O/c1-5-10(4)14-11-12(16)15(7-6-13-11)8-9(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,13,14)
InChIKeyMNTPFSTZNQNSBB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.11
Rot. Bonds5

About 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62939478) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62939478
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCC(C)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C12H21N3O/c1-5-10(4)14-11-12(16)15(7-6-13-11)8-9(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,13,14)
InChIKeyMNTPFSTZNQNSBB-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
methyl 3-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]butanoate
CID 62938384
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564
methyl 4-methyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]pentanoate
CID 62939090
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 62939478) is 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is CCC(C)Nc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is MNTPFSTZNQNSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-10(4)14-11-12(16)15(7-6-13-11)8-9(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,13,14).
What are the key properties of 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62939478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).