(5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone

C9H12N4O — CID 19869901

IUPAC(5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone
SMILESCC1CCNN1C(=O)c1cnccn1
InChIInChI=1S/C9H12N4O/c1-7-2-3-12-13(7)9(14)8-6-10-4-5-11-8/h4-7,12H,2-3H2,1H3
InChIKeyLWKAMABOWUSLRW-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.22
Rot. Bonds1

About (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone

(5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 19869901) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone
PubChem CID19869901
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name(5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone
SMILESCC1CCNN1C(=O)c1cnccn1
InChIInChI=1S/C9H12N4O/c1-7-2-3-12-13(7)9(14)8-6-10-4-5-11-8/h4-7,12H,2-3H2,1H3
InChIKeyLWKAMABOWUSLRW-UHFFFAOYSA-N
XLogP0.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
4-methyl-5-(pyrazine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 71943192
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone (CID 19869901) is (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone is CC1CCNN1C(=O)c1cnccn1.
What is the InChIKey of (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is LWKAMABOWUSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-2-3-12-13(7)9(14)8-6-10-4-5-11-8/h4-7,12H,2-3H2,1H3.
What are the key properties of (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone?
(5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 192.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazolidin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 19869901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).