3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine

C12H19ClN4 — CID 63235390

IUPAC3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESCN1CCC(CN(C)c2nccnc2Cl)CC1
InChIInChI=1S/C12H19ClN4/c1-16-7-3-10(4-8-16)9-17(2)12-11(13)14-5-6-15-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyUAVSEUDHCUDXTG-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.91
Rot. Bonds3

About 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine

3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine (PubChem CID 63235390) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
PubChem CID63235390
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine
SMILESCN1CCC(CN(C)c2nccnc2Cl)CC1
InChIInChI=1S/C12H19ClN4/c1-16-7-3-10(4-8-16)9-17(2)12-11(13)14-5-6-15-12/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyUAVSEUDHCUDXTG-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine (CID 63235390) is 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine is CN1CCC(CN(C)c2nccnc2Cl)CC1.
What is the InChIKey of 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine?
The InChIKey is UAVSEUDHCUDXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-16-7-3-10(4-8-16)9-17(2)12-11(13)14-5-6-15-12/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine?
3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 63235390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).