2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

C20H32N8 — CID 72903609

IUPAC2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1ncc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)nc1C
InChIInChI=1S/C20H32N8/c1-15-16(2)22-18(13-21-15)28-7-5-17(6-8-28)20-24-23-19(26(20)4)14-27-11-9-25(3)10-12-27/h13,17H,5-12,14H2,1-4H3
InChIKeyMFAAHDWOZRXBTB-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.35
Rot. Bonds4

About 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 72903609) has the molecular formula C20H32N8 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
PubChem CID72903609
Molecular FormulaC20H32N8
Molecular Weight384.53 g/mol
Exact Mass384.27
IUPAC Name2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCc1ncc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)nc1C
InChIInChI=1S/C20H32N8/c1-15-16(2)22-18(13-21-15)28-7-5-17(6-8-28)20-24-23-19(26(20)4)14-27-11-9-25(3)10-12-27/h13,17H,5-12,14H2,1-4H3
InChIKeyMFAAHDWOZRXBTB-UHFFFAOYSA-N
XLogP1.35
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 72903609) is 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is Cc1ncc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)nc1C.
What is the InChIKey of 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The InChIKey is MFAAHDWOZRXBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8/c1-15-16(2)22-18(13-21-15)28-7-5-17(6-8-28)20-24-23-19(26(20)4)14-27-11-9-25(3)10-12-27/h13,17H,5-12,14H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 384.53 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[4-[4-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 72903609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).