N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H15N5O — CID 16584672

IUPACN-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESc1ccc(-c2nc3c4ccccc4nc(NCc4ccco4)n3n2)cc1
InChIInChI=1S/C20H15N5O/c1-2-7-14(8-3-1)18-23-19-16-10-4-5-11-17(16)22-20(25(19)24-18)21-13-15-9-6-12-26-15/h1-12H,13H2,(H,21,22)
InChIKeyBXMIPYPGVNWKCC-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.15
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 16584672) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID16584672
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC NameN-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESc1ccc(-c2nc3c4ccccc4nc(NCc4ccco4)n3n2)cc1
InChIInChI=1S/C20H15N5O/c1-2-7-14(8-3-1)18-23-19-16-10-4-5-11-17(16)22-20(25(19)24-18)21-13-15-9-6-12-26-15/h1-12H,13H2,(H,21,22)
InChIKeyBXMIPYPGVNWKCC-UHFFFAOYSA-N
XLogP4.15
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880332
[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 3974873
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine
CID 20880263
[5-(furan-2-ylmethylamino)-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-phenylmethanone
CID 2972077
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880354
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880267
N-(furan-2-ylmethyl)-2-(4-nitrophenyl)quinazolin-4-amine
CID 696673
N-[2-(3-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-N'-fluoro-N'-methylmethanediamine
CID 156637211
12-ethyl-4-(furan-2-yl)-N-(furan-2-ylmethyl)-11-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 39308130
N-(3-piperidin-1-ylpropyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880309

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 16584672) is N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is c1ccc(-c2nc3c4ccccc4nc(NCc4ccco4)n3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is BXMIPYPGVNWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-2-7-14(8-3-1)18-23-19-16-10-4-5-11-17(16)22-20(25(19)24-18)21-13-15-9-6-12-26-15/h1-12H,13H2,(H,21,22).
What are the key properties of N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 341.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 16584672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).