(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

C12H13ClN4O — CID 106551233

IUPAC(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C12H13ClN4O/c1-2-3-16-4-6-17(7-5-16)12(18)10-8-14-9-11(13)15-10/h1,8-9H,3-7H2
InChIKeyHFWSOIOMHFZLSG-UHFFFAOYSA-N
MW264.72 g/mol
LogP0.52
Rot. Bonds2

About (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone

(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 106551233) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID106551233
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C12H13ClN4O/c1-2-3-16-4-6-17(7-5-16)12(18)10-8-14-9-11(13)15-10/h1,8-9H,3-7H2
InChIKeyHFWSOIOMHFZLSG-UHFFFAOYSA-N
XLogP0.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
(3,6-dichloro-2-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 61052302
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63860956
(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103337443
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
(6-chloropyrazin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 106551253
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 106551233) is (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is HFWSOIOMHFZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-3-16-4-6-17(7-5-16)12(18)10-8-14-9-11(13)15-10/h1,8-9H,3-7H2.
What are the key properties of (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 264.72 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 106551233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).