2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

C19H18N8 — CID 171147964

IUPAC2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NN=Cc2c[nH]c3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H18N8/c1-20-17-24-18(23-14-7-3-2-4-8-14)26-19(25-17)27-22-12-13-11-21-16-10-6-5-9-15(13)16/h2-12,21H,1H3,(H3,20,23,24,25,26,27)
InChIKeyZVOWQSZPLNZYSR-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.58
Rot. Bonds6

About 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 171147964) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID171147964
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NN=Cc2c[nH]c3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H18N8/c1-20-17-24-18(23-14-7-3-2-4-8-14)26-19(25-17)27-22-12-13-11-21-16-10-6-5-9-15(13)16/h2-12,21H,1H3,(H3,20,23,24,25,26,27)
InChIKeyZVOWQSZPLNZYSR-UHFFFAOYSA-N
XLogP3.58
TPSA102.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071
2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 153389201
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 137082807
2-N-(1H-indol-3-ylmethylideneamino)-4-N-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 136832231
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
3-N-(1H-indol-3-ylmethylideneamino)-5-methyl-1H-1,2,4-triazol-4-ium-3,4-diamine
CID 135514935
N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 136690255
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 153389202
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 171147964) is 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NN=Cc2c[nH]c3ccccc23)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZVOWQSZPLNZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-20-17-24-18(23-14-7-3-2-4-8-14)26-19(25-17)27-22-12-13-11-21-16-10-6-5-9-15(13)16/h2-12,21H,1H3,(H3,20,23,24,25,26,27).
What are the key properties of 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 358.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 171147964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).