N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine

C14H11N7O — CID 557420

IUPACN-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESc1ccc(-c2nnc3nnc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C14H11N7O/c1-2-5-10(6-3-1)12-16-18-14-19-17-13(20-21(12)14)15-9-11-7-4-8-22-11/h1-8H,9H2,(H,15,20)
InChIKeyLGDUGUBQUCJOLU-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.79
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine

N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (PubChem CID 557420) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
PubChem CID557420
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine
SMILESc1ccc(-c2nnc3nnc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C14H11N7O/c1-2-5-10(6-3-1)12-16-18-14-19-17-13(20-21(12)14)15-9-11-7-4-8-22-11/h1-8H,9H2,(H,15,20)
InChIKeyLGDUGUBQUCJOLU-UHFFFAOYSA-N
XLogP1.79
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126457174
N-(furan-2-ylmethyl)-1-methyl-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 164820330
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16584672
4-(furan-2-ylmethylamino)-3-phenyl-1H-1,2,4-triazole-5-thione
CID 4726829
[5-(furan-2-ylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-phenylmethanone
CID 3974873
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
N-(furan-2-ylmethyl)-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 3657838
1-ethyl-N-(furan-2-ylmethyl)-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 164820444
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
CID 112936430
N-(furan-2-ylmethyl)-4-methyl-6-(3-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 123794199
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine (CID 557420) is N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is c1ccc(-c2nnc3nnc(NCc4ccco4)nn23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
The InChIKey is LGDUGUBQUCJOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c1-2-5-10(6-3-1)12-16-18-14-19-17-13(20-21(12)14)15-9-11-7-4-8-22-11/h1-8H,9H2,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine?
N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine has a molecular weight of 293.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-amine is sourced from PubChem (CID 557420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).