2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane

C24H37ClN6 — CID 91073006

IUPAC2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
SMILESCC.CC.CC.CC.Clc1nc(N/N=C\c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H13ClN6.4C2H6/c17-14-20-15(19-13-9-5-2-6-10-13)22-16(21-14)23-18-11-12-7-3-1-4-8-12;4*1-2/h1-11H,(H2,19,20,21,22,23);4*1-2H3/b18-11-;;;;
InChIKeySUHOOBZKVMOVAY-AJPNQLRRSA-N
MW445.06 g/mol
LogP7.82
Rot. Bonds5

About 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane

2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane (PubChem CID 91073006) has the molecular formula C24H37ClN6 and a molecular weight of 445.06 g/mol. Its IUPAC name is 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane.

Molecular Properties

Compound Name2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
PubChem CID91073006
Molecular FormulaC24H37ClN6
Molecular Weight445.06 g/mol
Exact Mass444.28
IUPAC Name2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
SMILESCC.CC.CC.CC.Clc1nc(N/N=C\c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H13ClN6.4C2H6/c17-14-20-15(19-13-9-5-2-6-10-13)22-16(21-14)23-18-11-12-7-3-1-4-8-12;4*1-2/h1-11H,(H2,19,20,21,22,23);4*1-2H3/b18-11-;;;;
InChIKeySUHOOBZKVMOVAY-AJPNQLRRSA-N
XLogP7.82
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.06
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
4-N-(benzylideneamino)-6-N-(4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 4213211
3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 3381171
2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
2-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3721350
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 2301718
2-[(E)-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol;6-chloro-2-N,4-N-bis(4-fluorophenyl)-1,3,5-triazine-2,4-diamine;4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine;2,4,6-trichloro-1,3,5-triazine
CID 172948693
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane?
The IUPAC name of 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane (CID 91073006) is 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane.
What is the SMILES notation for 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane?
The canonical SMILES for 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane is CC.CC.CC.CC.Clc1nc(N/N=C\c2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane?
The InChIKey is SUHOOBZKVMOVAY-AJPNQLRRSA-N. The full InChI is InChI=1S/C16H13ClN6.4C2H6/c17-14-20-15(19-13-9-5-2-6-10-13)22-16(21-14)23-18-11-12-7-3-1-4-8-12;4*1-2/h1-11H,(H2,19,20,21,22,23);4*1-2H3/b18-11-;;;;.
What are the key properties of 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane?
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane has a molecular weight of 445.06 g/mol, XLogP of 7.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane is sourced from PubChem (CID 91073006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).