2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine

C35H36N24O4S — CID 160557417

About 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine

2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine (PubChem CID 160557417) has the molecular formula C35H36N24O4S and a molecular weight of 888.90 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine
• PubChem CID: 160557417
• Molecular Formula: C35H36N24O4S
• Molecular Weight: 888.90 g/mol
• Exact Mass: 888.31
• IUPAC Name: 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine
• SMILES: CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.Cn1nnc(-c2ccc(CCN)cn2)n1.Cn1nnc(-c2ccc(CCNc3nc(N)n4nc(-c5ccco5)nc4n3)cn2)n1
• InChI: InChI=1S/C17H16N12O.C9H8N6O3S.C9H12N6/c1-28-25-13(24-27-28)11-5-4-10(9-20-11)6-7-19-16-22-15(18)29-17(23-16)21-14(26-29)12-3-2-8-30-12;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5;1-15-13-9(12-14-15)8-3-2-7(4-5-10)6-11-8/h2-5,8-9H,6-7H2,1H3,(H3,18,19,21,22,23,26);2-4H,1H3,(H2,10,11,12,13,14);2-3,6H,4-5,10H2,1H3
• InChIKey: QYWDOPYSDGNUMS-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 375.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.90
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine?

The IUPAC name of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine (CID 160557417) is 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine.

What is the SMILES notation for 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine?

The canonical SMILES for 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine is CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.Cn1nnc(-c2ccc(CCN)cn2)n1.Cn1nnc(-c2ccc(CCNc3nc(N)n4nc(-c5ccco5)nc4n3)cn2)n1.

What is the InChIKey of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine?

The InChIKey is QYWDOPYSDGNUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N12O.C9H8N6O3S.C9H12N6/c1-28-25-13(24-27-28)11-5-4-10(9-20-11)6-7-19-16-22-15(18)29-17(23-16)21-14(26-29)12-3-2-8-30-12;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5;1-15-13-9(12-14-15)8-3-2-7(4-5-10)6-11-8/h2-5,8-9H,6-7H2,1H3,(H3,18,19,21,22,23,26);2-4H,1H3,(H2,10,11,12,13,14);2-3,6H,4-5,10H2,1H3.

What are the key properties of 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine?

2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine has a molecular weight of 888.90 g/mol, XLogP of 0.14, 11 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine;2-(furan-2-yl)-5-N-[2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 160557417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).