3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one

C10H16N4O — CID 63760635

IUPAC3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC(N)C2CC2)c1=O
InChIInChI=1S/C10H16N4O/c1-14-5-4-12-9(10(14)15)13-6-8(11)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13)
InChIKeyGHRAYQRLFGRGKY-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.07
Rot. Bonds4

About 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one

3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one (PubChem CID 63760635) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one
PubChem CID63760635
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC(N)C2CC2)c1=O
InChIInChI=1S/C10H16N4O/c1-14-5-4-12-9(10(14)15)13-6-8(11)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13)
InChIKeyGHRAYQRLFGRGKY-UHFFFAOYSA-N
XLogP-0.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one (CID 63760635) is 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one is Cn1ccnc(NCC(N)C2CC2)c1=O.
What is the InChIKey of 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one?
The InChIKey is GHRAYQRLFGRGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-5-4-12-9(10(14)15)13-6-8(11)7-2-3-7/h4-5,7-8H,2-3,6,11H2,1H3,(H,12,13).
What are the key properties of 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one?
3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 63760635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).