N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

C22H24N6O — CID 11372661

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCc1nc(-c2ccccc2)n2nc(Nc3ccc(OCCN(C)C)cc3)ncc12
InChIInChI=1S/C22H24N6O/c1-16-20-15-23-22(26-28(20)21(24-16)17-7-5-4-6-8-17)25-18-9-11-19(12-10-18)29-14-13-27(2)3/h4-12,15H,13-14H2,1-3H3,(H,25,26)
InChIKeyNJYSBNVFMMHDGP-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 11372661) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID11372661
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCc1nc(-c2ccccc2)n2nc(Nc3ccc(OCCN(C)C)cc3)ncc12
InChIInChI=1S/C22H24N6O/c1-16-20-15-23-22(26-28(20)21(24-16)17-7-5-4-6-8-17)25-18-9-11-19(12-10-18)29-14-13-27(2)3/h4-12,15H,13-14H2,1-3H3,(H,25,26)
InChIKeyNJYSBNVFMMHDGP-UHFFFAOYSA-N
XLogP3.78
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

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5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
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CID 49867482
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
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trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
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US10399985, Example 36
CID 118288233

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (CID 11372661) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is Cc1nc(-c2ccccc2)n2nc(Nc3ccc(OCCN(C)C)cc3)ncc12.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is NJYSBNVFMMHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-20-15-23-22(26-28(20)21(24-16)17-7-5-4-6-8-17)25-18-9-11-19(12-10-18)29-14-13-27(2)3/h4-12,15H,13-14H2,1-3H3,(H,25,26).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 388.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 11372661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).