2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride

C15H16ClF3N6O — CID 66685041

IUPAC2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride
SMILESCc1nc2c3cc(OC(F)(F)F)ccc3nc(N3CCNCC3)n2n1.Cl
InChIInChI=1S/C15H15F3N6O.ClH/c1-9-20-13-11-8-10(25-15(16,17)18)2-3-12(11)21-14(24(13)22-9)23-6-4-19-5-7-23;/h2-3,8,19H,4-7H2,1H3;1H
InChIKeyVBGFEKVXYFFDAN-UHFFFAOYSA-N
MW388.78 g/mol
LogP2.32
Rot. Bonds2

About 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride

2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride (PubChem CID 66685041) has the molecular formula C15H16ClF3N6O and a molecular weight of 388.78 g/mol. Its IUPAC name is 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride
PubChem CID66685041
Molecular FormulaC15H16ClF3N6O
Molecular Weight388.78 g/mol
Exact Mass388.10
IUPAC Name2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride
SMILESCc1nc2c3cc(OC(F)(F)F)ccc3nc(N3CCNCC3)n2n1.Cl
InChIInChI=1S/C15H15F3N6O.ClH/c1-9-20-13-11-8-10(25-15(16,17)18)2-3-12(11)21-14(24(13)22-9)23-6-4-19-5-7-23;/h2-3,8,19H,4-7H2,1H3;1H
InChIKeyVBGFEKVXYFFDAN-UHFFFAOYSA-N
XLogP2.32
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride with MolForge

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Related Compounds

2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline-9-carbonitrile
CID 58475821
9-bromo-8-fluoro-2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58475496
3-chloro-2-methyl-4-piperazin-1-yl-7-(trifluoromethoxy)quinoline
CID 121236413
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 53380576
10-(trifluoromethoxy)-1,2,3,4-tetrahydropyrimido[1,2-c]quinazolin-6-one
CID 135999407
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
tert-butyl 6-methoxy-2-piperazin-1-ylquinazoline-4-carboxylate
CID 69465845
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
1-[(S)-(6-methyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171280805
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride?
The IUPAC name of 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride (CID 66685041) is 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride.
What is the SMILES notation for 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride?
The canonical SMILES for 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride is Cc1nc2c3cc(OC(F)(F)F)ccc3nc(N3CCNCC3)n2n1.Cl.
What is the InChIKey of 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride?
The InChIKey is VBGFEKVXYFFDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O.ClH/c1-9-20-13-11-8-10(25-15(16,17)18)2-3-12(11)21-14(24(13)22-9)23-6-4-19-5-7-23;/h2-3,8,19H,4-7H2,1H3;1H.
What are the key properties of 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride?
2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride has a molecular weight of 388.78 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperazin-1-yl-9-(trifluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazoline;hydrochloride is sourced from PubChem (CID 66685041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).