(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C12H19N5O — CID 47024444

IUPAC(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2nccnc2N)CC1
InChIInChI=1S/C12H19N5O/c1-9(2)16-5-7-17(8-6-16)12(18)10-11(13)15-4-3-14-10/h3-4,9H,5-8H2,1-2H3,(H2,13,15)
InChIKeyBMCXRMZCCNQMAT-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.22
Rot. Bonds2

About (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 47024444) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID47024444
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2nccnc2N)CC1
InChIInChI=1S/C12H19N5O/c1-9(2)16-5-7-17(8-6-16)12(18)10-11(13)15-4-3-14-10/h3-4,9H,5-8H2,1-2H3,(H2,13,15)
InChIKeyBMCXRMZCCNQMAT-UHFFFAOYSA-N
XLogP0.22
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 32518605
(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048920
(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
(3-aminopyrazin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487560
(3-aminopyrazin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 18274312
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
[1-(3-aminopyrazine-2-carbonyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 51089756
[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 30257378
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105384991
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 47024444) is (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2nccnc2N)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is BMCXRMZCCNQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)16-5-7-17(8-6-16)12(18)10-11(13)15-4-3-14-10/h3-4,9H,5-8H2,1-2H3,(H2,13,15).
What are the key properties of (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 47024444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).