3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one

C10H13N3O — CID 116559359

IUPAC3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
SMILESO=C(CCNC1CC1)c1cnccn1
InChIInChI=1S/C10H13N3O/c14-10(3-4-12-8-1-2-8)9-7-11-5-6-13-9/h5-8,12H,1-4H2
InChIKeyUIXYJIJSLAZGQE-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.80
Rot. Bonds5

About 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one

3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one (PubChem CID 116559359) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
PubChem CID116559359
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
SMILESO=C(CCNC1CC1)c1cnccn1
InChIInChI=1S/C10H13N3O/c14-10(3-4-12-8-1-2-8)9-7-11-5-6-13-9/h5-8,12H,1-4H2
InChIKeyUIXYJIJSLAZGQE-UHFFFAOYSA-N
XLogP0.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
1-pyrazin-2-ylhexan-1-one
CID 22507174
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116559219
3-(pyrazine-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032324
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
N-(4,4-dimethylcyclohexyl)pyrazine-2-carboxamide
CID 130233496

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one (CID 116559359) is 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one is O=C(CCNC1CC1)c1cnccn1.
What is the InChIKey of 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one?
The InChIKey is UIXYJIJSLAZGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(3-4-12-8-1-2-8)9-7-11-5-6-13-9/h5-8,12H,1-4H2.
What are the key properties of 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one?
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one has a molecular weight of 191.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 116559359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).