N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine

C17H14N4O — CID 66711124

IUPACN-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
SMILESCOc1cccc(Nc2ncc3cc4ccccc4n3n2)c1
InChIInChI=1S/C17H14N4O/c1-22-15-7-4-6-13(10-15)19-17-18-11-14-9-12-5-2-3-8-16(12)21(14)20-17/h2-11H,1H3,(H,19,20)
InChIKeyWUDHBKPCVFIYAP-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.63
Rot. Bonds3

About N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine

N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine (PubChem CID 66711124) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
PubChem CID66711124
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
SMILESCOc1cccc(Nc2ncc3cc4ccccc4n3n2)c1
InChIInChI=1S/C17H14N4O/c1-22-15-7-4-6-13(10-15)19-17-18-11-14-9-12-5-2-3-8-16(12)21(14)20-17/h2-11H,1H3,(H,19,20)
InChIKeyWUDHBKPCVFIYAP-UHFFFAOYSA-N
XLogP3.63
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
CID 66710560
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
N-(3,5-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302897
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71737449
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
N-(3-methoxyphenyl)-4-methylpyrimidin-5-amine
CID 66714164
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-[1,2,4]triazino[1,6-a]indol-2-amine;2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole
CID 67432610

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine (CID 66711124) is N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine is COc1cccc(Nc2ncc3cc4ccccc4n3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
The InChIKey is WUDHBKPCVFIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-15-7-4-6-13(10-15)19-17-18-11-14-9-12-5-2-3-8-16(12)21(14)20-17/h2-11H,1H3,(H,19,20).
What are the key properties of N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine?
N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine has a molecular weight of 290.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine is sourced from PubChem (CID 66711124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).