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

C10H15ClN4 — CID 103055291

IUPAC2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
SMILESC[C@@H]1CN(Cc2cnc(Cl)cn2)CCN1
InChIInChI=1S/C10H15ClN4/c1-8-6-15(3-2-12-8)7-9-4-14-10(11)5-13-9/h4-5,8,12H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyFKYNQFLOYWYUTB-MRVPVSSYSA-N
MW226.71 g/mol
LogP0.92
Rot. Bonds2

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

2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine (PubChem CID 103055291) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
PubChem CID103055291
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
SMILESC[C@@H]1CN(Cc2cnc(Cl)cn2)CCN1
InChIInChI=1S/C10H15ClN4/c1-8-6-15(3-2-12-8)7-9-4-14-10(11)5-13-9/h4-5,8,12H,2-3,6-7H2,1H3/t8-/m1/s1
InChIKeyFKYNQFLOYWYUTB-MRVPVSSYSA-N
XLogP0.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
CID 103054010
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine?
The IUPAC name of 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine (CID 103055291) is 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine is C[C@@H]1CN(Cc2cnc(Cl)cn2)CCN1.
What is the InChIKey of 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine?
The InChIKey is FKYNQFLOYWYUTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-8-6-15(3-2-12-8)7-9-4-14-10(11)5-13-9/h4-5,8,12H,2-3,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine?
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine has a molecular weight of 226.71 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine is sourced from PubChem (CID 103055291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).