5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine

C15H20ClN5 — CID 112960060

IUPAC5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1cnnc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H20ClN5/c1-4-5-9-21(3)14-10-17-20-15(19-14)18-13-8-6-7-12(16)11(13)2/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyDTEHKSYHPTVTGG-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.81
Rot. Bonds6

About 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine

5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 112960060) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID112960060
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1cnnc(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H20ClN5/c1-4-5-9-21(3)14-10-17-20-15(19-14)18-13-8-6-7-12(16)11(13)2/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyDTEHKSYHPTVTGG-UHFFFAOYSA-N
XLogP3.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962383
3-N-(3-chloro-2-methylphenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959828
5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112960034
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
5-N-butyl-5-N-methyl-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112960083
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
3-N-(3-chloro-2-methylphenyl)-5-N-[4-(dimethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966230
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869
5-N-butyl-3-N-(furan-2-ylmethyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112947400
3-N-(3-chloro-2-methylphenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966212

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine (CID 112960060) is 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine is CCCCN(C)c1cnnc(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is DTEHKSYHPTVTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-4-5-9-21(3)14-10-17-20-15(19-14)18-13-8-6-7-12(16)11(13)2/h6-8,10H,4-5,9H2,1-3H3,(H,18,19,20).
What are the key properties of 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine?
5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).