4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

C18H24N8 — CID 135734076

IUPAC4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(N/N=C/c2c[nH]c3c(CC)cccc23)n1
InChIInChI=1S/C18H24N8/c1-4-12-8-7-9-14-13(10-21-15(12)14)11-22-26-18-24-16(19-5-2)23-17(25-18)20-6-3/h7-11,21H,4-6H2,1-3H3,(H3,19,20,23,24,25,26)/b22-11+
InChIKeyNWNKHOPURUDPJB-SSDVNMTOSA-N
MW352.45 g/mol
LogP3.22
Rot. Bonds8

About 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine (PubChem CID 135734076) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
PubChem CID135734076
Molecular FormulaC18H24N8
Molecular Weight352.45 g/mol
Exact Mass352.21
IUPAC Name4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(N/N=C/c2c[nH]c3c(CC)cccc23)n1
InChIInChI=1S/C18H24N8/c1-4-12-8-7-9-14-13(10-21-15(12)14)11-22-26-18-24-16(19-5-2)23-17(25-18)20-6-3/h7-11,21H,4-6H2,1-3H3,(H3,19,20,23,24,25,26)/b22-11+
InChIKeyNWNKHOPURUDPJB-SSDVNMTOSA-N
XLogP3.22
TPSA102.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 2550408
4-bromo-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]benzenesulfonamide
CID 2710523
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
2-N-[(E)-(2-bromophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 42992321
2-N-[(E)-(2-aminophenyl)methylideneamino]-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 10424878
4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 4320116
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135715866
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
CID 135538416

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine (CID 135734076) is 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(N/N=C/c2c[nH]c3c(CC)cccc23)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NWNKHOPURUDPJB-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H24N8/c1-4-12-8-7-9-14-13(10-21-15(12)14)11-22-26-18-24-16(19-5-2)23-17(25-18)20-6-3/h7-11,21H,4-6H2,1-3H3,(H3,19,20,23,24,25,26)/b22-11+.
What are the key properties of 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 352.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 135734076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).