N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

C22H24N6O3 — CID 25459604

IUPACN-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2cnnc(NCCCn3ncc4ccccc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H24N6O3/c1-29-19-11-16(12-20(30-2)21(19)31-3)17-14-24-27-22(26-17)23-9-6-10-28-18-8-5-4-7-15(18)13-25-28/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,23,26,27)
InChIKeyLFCJRTIUSXGDSS-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.42
Rot. Bonds9

About N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 25459604) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID25459604
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cc(-c2cnnc(NCCCn3ncc4ccccc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H24N6O3/c1-29-19-11-16(12-20(30-2)21(19)31-3)17-14-24-27-22(26-17)23-9-6-10-28-18-8-5-4-7-15(18)13-25-28/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,23,26,27)
InChIKeyLFCJRTIUSXGDSS-UHFFFAOYSA-N
XLogP3.42
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-propan-2-yloxypropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 26396119
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 25383509
5-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 42454381
2-bromo-N-(3-indazol-1-ylpropyl)-4-methoxy-1-benzofuran-6-carboxamide
CID 91958083
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825
5-indazol-1-yl-N-propan-2-ylpentan-1-amine
CID 62449017
1-propylindazole
CID 18695497
N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 62564894
4-indazol-1-ylbutan-1-ol
CID 62142094
3-N-[(2-methoxyphenyl)methyl]-5-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951002
2-indazol-1-yl-1-(2-methoxyphenyl)ethanone
CID 62140573

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (CID 25459604) is N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is COc1cc(-c2cnnc(NCCCn3ncc4ccccc43)n2)cc(OC)c1OC.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is LFCJRTIUSXGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-29-19-11-16(12-20(30-2)21(19)31-3)17-14-24-27-22(26-17)23-9-6-10-28-18-8-5-4-7-15(18)13-25-28/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,23,26,27).
What are the key properties of N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 420.47 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25459604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).