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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine

C47H44N24O4S — CID 159965356

IUPAC2-(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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine
SMILESCS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(-c2nnn(Cc3ccncc3)n2)cc1.Nc1nc(NCCc2ccc(-c3nnn(Cc4ccncc4)n3)cc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H20N12O.C15H16N6.C9H8N6O3S/c24-21-28-22(29-23-27-20(32-35(21)23)18-2-1-13-36-18)26-12-9-15-3-5-17(6-4-15)19-30-33-34(31-19)14-16-7-10-25-11-8-16;16-8-5-12-1-3-14(4-2-12)15-18-20-21(19-15)11-13-6-9-17-10-7-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-8,10-11,13H,9,12,14H2,(H3,24,26,27,28,29,32);1-4,6-7,9-10H,5,8,11,16H2;2-4H,1H3,(H2,10,11,12,13,14)
InChIKeyODWAPBSAKHJNAG-UHFFFAOYSA-N
MW1041.10 g/mol
LogP3.16
Rot. Bonds15

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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine (PubChem CID 159965356) has the molecular formula C47H44N24O4S and a molecular weight of 1041.10 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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-(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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine
PubChem CID159965356
Molecular FormulaC47H44N24O4S
Molecular Weight1041.10 g/mol
Exact Mass1040.37
IUPAC Name2-(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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine
SMILESCS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(-c2nnn(Cc3ccncc3)n2)cc1.Nc1nc(NCCc2ccc(-c3nnn(Cc4ccncc4)n3)cc2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H20N12O.C15H16N6.C9H8N6O3S/c24-21-28-22(29-23-27-20(32-35(21)23)18-2-1-13-36-18)26-12-9-15-3-5-17(6-4-15)19-30-33-34(31-19)14-16-7-10-25-11-8-16;16-8-5-12-1-3-14(4-2-12)15-18-20-21(19-15)11-13-6-9-17-10-7-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-8,10-11,13H,9,12,14H2,(H3,24,26,27,28,29,32);1-4,6-7,9-10H,5,8,11,16H2;2-4H,1H3,(H2,10,11,12,13,14)
InChIKeyODWAPBSAKHJNAG-UHFFFAOYSA-N
XLogP3.16
TPSA375.43 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.10
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine with MolForge

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-3-(4,4-difluoropiperidin-1-yl)propanamide;1-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-4-(4,4-difluoropiperidin-1-yl)butan-2-one;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 157427365
[4-(2-Aminoethyl)phenyl]-(4,4-difluoropiperidin-1-yl)methanone;[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 157514895
[4-(2-Aminoethyl)phenyl]-(3,3-difluoropiperidin-1-yl)methanone;[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-(3,3-difluoropiperidin-1-yl)methanone;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 157849697
4-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline;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-[4-[2-(2,2,2-trifluoroethoxy)ethylamino]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 159149311
1-[4-(2-Aminoethyl)phenyl]-3-(4,4-difluoropiperidin-1-yl)propan-2-one;1-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-3-(4,4-difluoropiperidin-1-yl)propan-2-one;2-(furan-2-yl)-5-methylsulfonyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 159785814
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-[4-[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(2,2,2-trifluoroethyl)tetrazol-5-yl]phenyl]ethanamine
CID 162124274
5-N-[2-[4-[2-[5-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]sulfonyl]ethyl]-2-pyridinyl]ethylamino]phenyl]ethyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 148206867
2-(furan-2-yl)-5-N-[2-(4-pyridin-4-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153381328
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N'-(pyridin-4-ylmethylamino)benzenecarboximidamide
CID 153381339
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N'-(pyridin-3-ylmethylamino)benzenecarboximidamide
CID 153381345
2-(furan-2-yl)-5-N-[2-(4-pyridin-3-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153531985
2-(furan-2-yl)-5-N-[2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 153531995

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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine (CID 159965356) 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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine is CS(=O)(=O)c1nc(N)n2nc(-c3ccco3)nc2n1.NCCc1ccc(-c2nnn(Cc3ccncc3)n2)cc1.Nc1nc(NCCc2ccc(-c3nnn(Cc4ccncc4)n3)cc2)nc2nc(-c3ccco3)nn12.
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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine?
The InChIKey is ODWAPBSAKHJNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N12O.C15H16N6.C9H8N6O3S/c24-21-28-22(29-23-27-20(32-35(21)23)18-2-1-13-36-18)26-12-9-15-3-5-17(6-4-15)19-30-33-34(31-19)14-16-7-10-25-11-8-16;16-8-5-12-1-3-14(4-2-12)15-18-20-21(19-15)11-13-6-9-17-10-7-13;1-19(16,17)9-12-7(10)15-8(13-9)11-6(14-15)5-3-2-4-18-5/h1-8,10-11,13H,9,12,14H2,(H3,24,26,27,28,29,32);1-4,6-7,9-10H,5,8,11,16H2;2-4H,1H3,(H2,10,11,12,13,14).
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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine has a molecular weight of 1041.10 g/mol, XLogP of 3.16, 15 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-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethyl]-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine;2-[4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 159965356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).