2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C20H22N8O2 — CID 11774134

IUPAC2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1ccccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C20H22N8O2/c1-29-15-6-3-2-5-14(15)13-26-8-10-27(11-9-26)19-23-18(21)28-20(24-19)22-17(25-28)16-7-4-12-30-16/h2-7,12H,8-11,13H2,1H3,(H2,21,22,23,24,25)
InChIKeyCYLPEAGZGXLCHI-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.69
Rot. Bonds5

About 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11774134) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11774134
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1ccccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIInChI=1S/C20H22N8O2/c1-29-15-6-3-2-5-14(15)13-26-8-10-27(11-9-26)19-23-18(21)28-20(24-19)22-17(25-28)16-7-4-12-30-16/h2-7,12H,8-11,13H2,1H3,(H2,21,22,23,24,25)
InChIKeyCYLPEAGZGXLCHI-UHFFFAOYSA-N
XLogP1.69
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(2-(7-Amino-2-(2-furyl)-(1,2,4)triazolo(2,3-a)-(1,3,5)triazin-5-yl-amino)ethyl)phenol
CID 176407
(1,2,4)Triazolo(1,5-a)triazin-7-amine, 2-(2-furanyl)-5-phenoxy-
CID 3071852
(7RS,9aRS)-5-[7-(2-fluoro-phenoxymethyl)-octahydro-pyrido[1,2-a]pyrazin-2-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11282691
N-(2-furylmethyl)-1-(2-methoxybenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
CID 2211338
2-(Furan-2-Yl)-N~5~-[3-(4-Phenylpiperazin-1-Yl)propyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 44394688
Triazine-4-carboxamide, 9
CID 44520934
2-(Furan-2-Yl)-N~5~-[2-(4-Phenylpiperidin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 86302363
2-(Furan-2-Yl)-N~5~-[2-(4-Methylpiperazin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 121225598
4-[2-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-2-tritiophenol
CID 53316647
(125I)ZM-241385
CID 73754992
5-((7S,9aS)-7-((3-fluorophenoxy)methyl)-hexahydro-1H-pyrido[1,2-a]pyrazin-2(6H)-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11784529
6-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]-N-hydroxyhexanamide
CID 166629234

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11774134) is 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is COc1ccccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is CYLPEAGZGXLCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-29-15-6-3-2-5-14(15)13-26-8-10-27(11-9-26)19-23-18(21)28-20(24-19)22-17(25-28)16-7-4-12-30-16/h2-7,12H,8-11,13H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 406.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11774134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).