3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one

C14H18N4O — CID 63759006

IUPAC3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Nc2ccccc2CN)c1=O
InChIInChI=1S/C14H18N4O/c1-2-8-18-9-7-16-13(14(18)19)17-12-6-4-3-5-11(12)10-15/h3-7,9H,2,8,10,15H2,1H3,(H,16,17)
InChIKeyIBXMWPSZEGMPRF-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.86
Rot. Bonds5

About 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one

3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one (PubChem CID 63759006) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one
PubChem CID63759006
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Nc2ccccc2CN)c1=O
InChIInChI=1S/C14H18N4O/c1-2-8-18-9-7-16-13(14(18)19)17-12-6-4-3-5-11(12)10-15/h3-7,9H,2,8,10,15H2,1H3,(H,16,17)
InChIKeyIBXMWPSZEGMPRF-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one (CID 63759006) is 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one is CCCn1ccnc(Nc2ccccc2CN)c1=O.
What is the InChIKey of 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one?
The InChIKey is IBXMWPSZEGMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-8-18-9-7-16-13(14(18)19)17-12-6-4-3-5-11(12)10-15/h3-7,9H,2,8,10,15H2,1H3,(H,16,17).
What are the key properties of 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one?
3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)anilino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63759006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).