N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine

C17H24ClN5 — CID 6405736

IUPACN-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)c1nnc(-c2ccc(Cl)cc2)c(NCCCN(C)C)n1
InChIInChI=1S/C17H24ClN5/c1-12(2)16-20-17(19-10-5-11-23(3)4)15(21-22-16)13-6-8-14(18)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,22)
InChIKeyIAFIEVWGHOEJCN-UHFFFAOYSA-N
MW333.87 g/mol
LogP3.68
Rot. Bonds7

About N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine

N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 6405736) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID6405736
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC NameN-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCC(C)c1nnc(-c2ccc(Cl)cc2)c(NCCCN(C)C)n1
InChIInChI=1S/C17H24ClN5/c1-12(2)16-20-17(19-10-5-11-23(3)4)15(21-22-16)13-6-8-14(18)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,22)
InChIKeyIAFIEVWGHOEJCN-UHFFFAOYSA-N
XLogP3.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
2-[2-[5-chloro-2-propan-2-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]hydrazinyl]-N,N-dimethylethanamine
CID 139886561
N-(6-chloro-3-pyridin-2-ylquinoxalin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 18549055
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 71703964
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
3-[3-(dimethylamino)propylamino]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779950
5-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 68646518

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine (CID 6405736) is N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine is CC(C)c1nnc(-c2ccc(Cl)cc2)c(NCCCN(C)C)n1.
What is the InChIKey of N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IAFIEVWGHOEJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-12(2)16-20-17(19-10-5-11-23(3)4)15(21-22-16)13-6-8-14(18)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,19,20,22).
What are the key properties of N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 333.87 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-3-propan-2-yl-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 6405736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).