3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one

C15H20N4O — CID 62940846

IUPAC3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2ccc(CN)cc2)c1=O
InChIInChI=1S/C15H20N4O/c1-2-8-19-9-7-17-14(15(19)20)18-11-13-5-3-12(10-16)4-6-13/h3-7,9H,2,8,10-11,16H2,1H3,(H,17,18)
InChIKeyMDDLGSKCVIBDIW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.72
Rot. Bonds6

About 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one

3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one (PubChem CID 62940846) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
PubChem CID62940846
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2ccc(CN)cc2)c1=O
InChIInChI=1S/C15H20N4O/c1-2-8-19-9-7-17-14(15(19)20)18-11-13-5-3-12(10-16)4-6-13/h3-7,9H,2,8,10-11,16H2,1H3,(H,17,18)
InChIKeyMDDLGSKCVIBDIW-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62927452
1-ethyl-3-[(4-propan-2-ylphenyl)methylamino]pyrazin-2-one
CID 62929849
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one (CID 62940846) is 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2ccc(CN)cc2)c1=O.
What is the InChIKey of 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one?
The InChIKey is MDDLGSKCVIBDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-19-9-7-17-14(15(19)20)18-11-13-5-3-12(10-16)4-6-13/h3-7,9H,2,8,10-11,16H2,1H3,(H,17,18).
What are the key properties of 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one?
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62940846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).