3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one

C11H20N4O2 — CID 114154979

IUPAC3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(CN)COC)c1=O
InChIInChI=1S/C11H20N4O2/c1-3-5-15-6-4-13-10(11(15)16)14-9(7-12)8-17-2/h4,6,9H,3,5,7-8,12H2,1-2H3,(H,13,14)
InChIKeyJAFREZULSLKNFZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.04
Rot. Bonds7

About 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one

3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one (PubChem CID 114154979) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
PubChem CID114154979
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(CN)COC)c1=O
InChIInChI=1S/C11H20N4O2/c1-3-5-15-6-4-13-10(11(15)16)14-9(7-12)8-17-2/h4,6,9H,3,5,7-8,12H2,1-2H3,(H,13,14)
InChIKeyJAFREZULSLKNFZ-UHFFFAOYSA-N
XLogP0.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-aminopentan-3-ylamino)-1-propylpyrazin-2-one
CID 113496630
2-N-(1-ethylimidazol-2-yl)-3-methoxypropane-1,2-diamine
CID 106182281
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 114155564
3-[(1-amino-4-methylpentan-2-yl)amino]-1-ethylpyrazin-2-one
CID 63760377
3-(1-aminopentan-2-ylamino)-1-methylpyrazin-2-one
CID 65192630
3-(1-aminobutan-2-ylamino)-1-methylpyrazin-2-one
CID 63765313
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]-3-methoxypropanoic acid
CID 81078505
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106154116
3-(1-methylsulfinylpropan-2-ylamino)-1-propylpyrazin-2-one
CID 113486538
1-ethyl-3-[(1-hydroxy-4-methoxybutan-2-yl)amino]pyrazin-2-one
CID 114210811
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1-propylpyrazin-2-one
CID 55156809
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one (CID 114154979) is 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC(CN)COC)c1=O.
What is the InChIKey of 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is JAFREZULSLKNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-5-15-6-4-13-10(11(15)16)14-9(7-12)8-17-2/h4,6,9H,3,5,7-8,12H2,1-2H3,(H,13,14).
What are the key properties of 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one?
3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one has a molecular weight of 240.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methoxypropan-2-yl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 114154979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).