8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline

C14H15BrN6 — CID 58475514

IUPAC8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1cc2c(cc1Br)nc(N1CCNCC1)n1ncnc21
InChIInChI=1S/C14H15BrN6/c1-9-6-10-12(7-11(9)15)19-14(20-4-2-16-3-5-20)21-13(10)17-8-18-21/h6-8,16H,2-5H2,1H3
InChIKeyLMCJMGJHXSSTMY-UHFFFAOYSA-N
MW347.22 g/mol
LogP1.76
Rot. Bonds1

About 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline

8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 58475514) has the molecular formula C14H15BrN6 and a molecular weight of 347.22 g/mol. Its IUPAC name is 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID58475514
Molecular FormulaC14H15BrN6
Molecular Weight347.22 g/mol
Exact Mass346.05
IUPAC Name8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1cc2c(cc1Br)nc(N1CCNCC1)n1ncnc21
InChIInChI=1S/C14H15BrN6/c1-9-6-10-12(7-11(9)15)19-14(20-4-2-16-3-5-20)21-13(10)17-8-18-21/h6-8,16H,2-5H2,1H3
InChIKeyLMCJMGJHXSSTMY-UHFFFAOYSA-N
XLogP1.76
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-bromo-8-fluoro-2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58475496
9-bromo-5-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 58476063
2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile
CID 58475821
8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 58475394
7-bromo-6-iodo-4-piperazin-1-ylquinazoline
CID 155267428
7-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 43664984
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
6,7-dimethyl-2-piperazin-1-ylquinazolin-4-amine
CID 158357894
2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride
CID 66685041
3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
CID 121236468
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
CID 69237633
1-(4-bromo-3-methylphenyl)piperazine;hydrochloride
CID 21071017

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline (CID 58475514) is 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1cc2c(cc1Br)nc(N1CCNCC1)n1ncnc21.
What is the InChIKey of 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is LMCJMGJHXSSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6/c1-9-6-10-12(7-11(9)15)19-14(20-4-2-16-3-5-20)21-13(10)17-8-18-21/h6-8,16H,2-5H2,1H3.
What are the key properties of 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline?
8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 347.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 58475514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).