3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one

C14H26N4O — CID 55157178

IUPAC3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)(C)CN(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-8-18-9-7-15-12(13(18)19)16-10-14(2,3)11-17(4)5/h7,9H,6,8,10-11H2,1-5H3,(H,15,16)
InChIKeyMGIPZANSJKDUSQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.65
Rot. Bonds7

About 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one

3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one (PubChem CID 55157178) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
PubChem CID55157178
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)(C)CN(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-8-18-9-7-15-12(13(18)19)16-10-14(2,3)11-17(4)5/h7,9H,6,8,10-11H2,1-5H3,(H,15,16)
InChIKeyMGIPZANSJKDUSQ-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one 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-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939654
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-propylpyrazin-2-one
CID 55156809
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[2-(tert-butylamino)ethyl-methylamino]-1-propylpyrazin-2-one
CID 62927325
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(5-chloro-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142180
3-[(5-amino-2,2-dimethylpentyl)amino]-1-ethylpyrazin-2-one
CID 106142615
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one (CID 55157178) is 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(C)(C)CN(C)C)c1=O.
What is the InChIKey of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one?
The InChIKey is MGIPZANSJKDUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-8-18-9-7-15-12(13(18)19)16-10-14(2,3)11-17(4)5/h7,9H,6,8,10-11H2,1-5H3,(H,15,16).
What are the key properties of 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one?
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 55157178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).