2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine

C12H19ClN4 — CID 103054287

IUPAC2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
SMILESCCC1CN(Cc2cnc(Cl)cn2)CCN1C
InChIInChI=1S/C12H19ClN4/c1-3-11-9-17(5-4-16(11)2)8-10-6-15-12(13)7-14-10/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyUKBVEKOCAYLNDC-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.66
Rot. Bonds3

About 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine

2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine (PubChem CID 103054287) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
PubChem CID103054287
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
SMILESCCC1CN(Cc2cnc(Cl)cn2)CCN1C
InChIInChI=1S/C12H19ClN4/c1-3-11-9-17(5-4-16(11)2)8-10-6-15-12(13)7-14-10/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyUKBVEKOCAYLNDC-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391
2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine
CID 103054379
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103056437
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
1-[(5-chloropyrazin-2-yl)methyl]-3-ethylazetidin-3-ol
CID 103055334
N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906584
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 79231506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine (CID 103054287) is 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine is CCC1CN(Cc2cnc(Cl)cn2)CCN1C.
What is the InChIKey of 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine?
The InChIKey is UKBVEKOCAYLNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-11-9-17(5-4-16(11)2)8-10-6-15-12(13)7-14-10/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine?
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine has a molecular weight of 254.76 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine is sourced from PubChem (CID 103054287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).