6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline

C16H17Cl2N7 — CID 127805767

IUPAC6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline
SMILESCc1nc(CN2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n[nH]1
InChIInChI=1S/C16H17Cl2N7/c1-10-20-15(23-22-10)9-24-2-4-25(5-3-24)16-8-19-13-6-11(17)12(18)7-14(13)21-16/h6-8H,2-5,9H2,1H3,(H,20,22,23)
InChIKeyFAPJHBPPGMRMFF-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.69
Rot. Bonds3

About 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline

6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline (PubChem CID 127805767) has the molecular formula C16H17Cl2N7 and a molecular weight of 378.27 g/mol. Its IUPAC name is 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline
PubChem CID127805767
Molecular FormulaC16H17Cl2N7
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline
SMILESCc1nc(CN2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n[nH]1
InChIInChI=1S/C16H17Cl2N7/c1-10-20-15(23-22-10)9-24-2-4-25(5-3-24)16-8-19-13-6-11(17)12(18)7-14(13)21-16/h6-8H,2-5,9H2,1H3,(H,20,22,23)
InChIKeyFAPJHBPPGMRMFF-UHFFFAOYSA-N
XLogP2.69
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline?
The IUPAC name of 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline (CID 127805767) is 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline is Cc1nc(CN2CCN(c3cnc4cc(Cl)c(Cl)cc4n3)CC2)n[nH]1.
What is the InChIKey of 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline?
The InChIKey is FAPJHBPPGMRMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N7/c1-10-20-15(23-22-10)9-24-2-4-25(5-3-24)16-8-19-13-6-11(17)12(18)7-14(13)21-16/h6-8H,2-5,9H2,1H3,(H,20,22,23).
What are the key properties of 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline?
6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline has a molecular weight of 378.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 127805767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).