bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione

C74H81Cl4N19O14 — CID 167586065

IUPACbis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)nn3ccnc23)c(OC)c1.COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)nn3ccnc23)c(OC)c1.COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1.ClC1NC(Cl)c2nccn2N1.O=c1[nH]c(=O)c2nccn2[nH]1
InChIInChI=1S/2C23H24ClN5O4.C18H23NO4.C5H6Cl2N4.C5H4N4O2/c2*1-30-17-7-5-15(19(11-17)32-3)13-28(14-16-6-8-18(31-2)12-20(16)33-4)22-21-25-9-10-29(21)27-23(24)26-22;1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4;6-3-4-8-1-2-11(4)10-5(7)9-3;10-4-3-6-1-2-9(3)8-5(11)7-4/h2*5-12H,13-14H2,1-4H3;5-10,19H,11-12H2,1-4H3;1-3,5,9-10H;1-2H,(H2,7,8,10,11)
InChIKeyHUZAZXUEVMFTAN-UHFFFAOYSA-N
MW1602.39 g/mol
LogP10.55
Rot. Bonds26

About bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione

bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione (PubChem CID 167586065) has the molecular formula C74H81Cl4N19O14 and a molecular weight of 1602.39 g/mol. Its IUPAC name is bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione.

Molecular Properties

Compound Namebis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione
PubChem CID167586065
Molecular FormulaC74H81Cl4N19O14
Molecular Weight1602.39 g/mol
Exact Mass1599.50
IUPAC Namebis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)nn3ccnc23)c(OC)c1.COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)nn3ccnc23)c(OC)c1.COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1.ClC1NC(Cl)c2nccn2N1.O=c1[nH]c(=O)c2nccn2[nH]1
InChIInChI=1S/2C23H24ClN5O4.C18H23NO4.C5H6Cl2N4.C5H4N4O2/c2*1-30-17-7-5-15(19(11-17)32-3)13-28(14-16-6-8-18(31-2)12-20(16)33-4)22-21-25-9-10-29(21)27-23(24)26-22;1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4;6-3-4-8-1-2-11(4)10-5(7)9-3;10-4-3-6-1-2-9(3)8-5(11)7-4/h2*5-12H,13-14H2,1-4H3;5-10,19H,11-12H2,1-4H3;1-3,5,9-10H;1-2H,(H2,7,8,10,11)
InChIKeyHUZAZXUEVMFTAN-UHFFFAOYSA-N
XLogP10.55
TPSA340.33 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001602.39
LogP ≤ 510.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione with MolForge

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Related Compounds

2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 141386417
4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-chloro-2-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166822287
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 155034444
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
methyl 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-1-(2-chloro-4-cyano-6-methylphenyl)-6-oxopyrimidine-5-carboxylate
CID 172594106
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
3-bromo-5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 171621168
4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione
CID 154663192
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
CID 135345298
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 55191272

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione?
The IUPAC name of bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione (CID 167586065) is bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione.
What is the SMILES notation for bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione?
The canonical SMILES for bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione is COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)nn3ccnc23)c(OC)c1.COc1ccc(CN(Cc2ccc(OC)cc2OC)c2nc(Cl)nn3ccnc23)c(OC)c1.COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1.ClC1NC(Cl)c2nccn2N1.O=c1[nH]c(=O)c2nccn2[nH]1.
What is the InChIKey of bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione?
The InChIKey is HUZAZXUEVMFTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24ClN5O4.C18H23NO4.C5H6Cl2N4.C5H4N4O2/c2*1-30-17-7-5-15(19(11-17)32-3)13-28(14-16-6-8-18(31-2)12-20(16)33-4)22-21-25-9-10-29(21)27-23(24)26-22;1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4;6-3-4-8-1-2-11(4)10-5(7)9-3;10-4-3-6-1-2-9(3)8-5(11)7-4/h2*5-12H,13-14H2,1-4H3;5-10,19H,11-12H2,1-4H3;1-3,5,9-10H;1-2H,(H2,7,8,10,11).
What are the key properties of bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione?
bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione has a molecular weight of 1602.39 g/mol, XLogP of 10.55, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione is sourced from PubChem (CID 167586065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).