5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

C17H11F2N5O2 — CID 51037522

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESNc1nc2c3c(F)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1
InChIInChI=1S/C17H11F2N5O2/c18-9-5-10(19)15-11(6-9)21-14(24-16(15)22-17(20)23-24)4-8-1-2-12-13(3-8)26-7-25-12/h1-3,5-6H,4,7H2,(H2,20,23)
InChIKeyZPZPIJXUHQETIS-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.46
Rot. Bonds2

About 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (PubChem CID 51037522) has the molecular formula C17H11F2N5O2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
PubChem CID51037522
Molecular FormulaC17H11F2N5O2
Molecular Weight355.30 g/mol
Exact Mass355.09
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine
SMILESNc1nc2c3c(F)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1
InChIInChI=1S/C17H11F2N5O2/c18-9-5-10(19)15-11(6-9)21-14(24-16(15)22-17(20)23-24)4-8-1-2-12-13(3-8)26-7-25-12/h1-3,5-6H,4,7H2,(H2,20,23)
InChIKeyZPZPIJXUHQETIS-UHFFFAOYSA-N
XLogP2.46
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine with MolForge

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Related Compounds

3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
2-{[2-Amino-5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-8-Yl]amino}ethanol
CID 50938552
2-{[(2z)-5-(1,3-Benzodioxol-5-Ylmethyl)-8-Fluoro-2-Imino-2,3-Dihydro[1,2,4]triazolo[1,5-C]quinazolin-10-Yl]amino}ethanol
CID 51035661
2-Amino-5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazoline-8-Sulfonamide
CID 51036678
5-(1,3-Benzodioxol-5-Ylmethyl)-10-Fluoro[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 51037112
5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 68106001
2-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]ethyl-diethyl-amine
CID 9550178
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro-3H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-amine
CID 75277381
2-[[2-amino-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-3H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-10-yl]amino]ethanol
CID 75277383
5-(3,5-Dimethoxybenzyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 67042932
5-(1,3-benzodioxol-5-ylmethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-amine
CID 75277379

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine (CID 51037522) is 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is Nc1nc2c3c(F)cc(F)cc3nc(Cc3ccc4c(c3)OCO4)n2n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
The InChIKey is ZPZPIJXUHQETIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2/c18-9-5-10(19)15-11(6-9)21-14(24-16(15)22-17(20)23-24)4-8-1-2-12-13(3-8)26-7-25-12/h1-3,5-6H,4,7H2,(H2,20,23).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine?
5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine has a molecular weight of 355.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-8,10-difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-amine is sourced from PubChem (CID 51037522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).