2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride

C15H21Cl4N9 — CID 176526392

IUPAC2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C9H5Cl3N4.C6H15N5.ClH/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;1-2-3-4-10-6(9)11-5(7)8;/h1-4H,(H,13,14,15,16);2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyWGSFHDHTGUZPJT-UHFFFAOYSA-N
MW469.21 g/mol
LogP3.58
Rot. Bonds5

About 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride

2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 176526392) has the molecular formula C15H21Cl4N9 and a molecular weight of 469.21 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride
PubChem CID176526392
Molecular FormulaC15H21Cl4N9
Molecular Weight469.21 g/mol
Exact Mass467.07
IUPAC Name2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C9H5Cl3N4.C6H15N5.ClH/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;1-2-3-4-10-6(9)11-5(7)8;/h1-4H,(H,13,14,15,16);2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyWGSFHDHTGUZPJT-UHFFFAOYSA-N
XLogP3.58
TPSA150.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.21
LogP ≤ 53.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
CID 176531380
2-butyl-1-carbamimidoylguanidine;10H-phenothiazine;hydrochloride
CID 176531382
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
CID 88626934
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine
CID 176533869
2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride
CID 176541548

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride (CID 176526392) is 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride is Cl.Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is WGSFHDHTGUZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4.C6H15N5.ClH/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;1-2-3-4-10-6(9)11-5(7)8;/h1-4H,(H,13,14,15,16);2-4H2,1H3,(H6,7,8,9,10,11);1H.
What are the key properties of 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride?
2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 469.21 g/mol, XLogP of 3.58, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 176526392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).