2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine

C14H24N4 — CID 121401224

IUPAC2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine
SMILESCc1cnc(C(C)CCN2CCN(C)CC2)cn1
InChIInChI=1S/C14H24N4/c1-12(14-11-15-13(2)10-16-14)4-5-18-8-6-17(3)7-9-18/h10-12H,4-9H2,1-3H3
InChIKeyZJNWDOARBVWIFV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine

2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine (PubChem CID 121401224) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine
PubChem CID121401224
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine
SMILESCc1cnc(C(C)CCN2CCN(C)CC2)cn1
InChIInChI=1S/C14H24N4/c1-12(14-11-15-13(2)10-16-14)4-5-18-8-6-17(3)7-9-18/h10-12H,4-9H2,1-3H3
InChIKeyZJNWDOARBVWIFV-UHFFFAOYSA-N
XLogP1.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine?
The IUPAC name of 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine (CID 121401224) is 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine.
What is the SMILES notation for 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine?
The canonical SMILES for 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine is Cc1cnc(C(C)CCN2CCN(C)CC2)cn1.
What is the InChIKey of 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine?
The InChIKey is ZJNWDOARBVWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(14-11-15-13(2)10-16-14)4-5-18-8-6-17(3)7-9-18/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine?
2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine has a molecular weight of 248.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylpiperazin-1-yl)butan-2-yl]pyrazine is sourced from PubChem (CID 121401224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).