3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine

C15H21N5 — CID 112940162

IUPAC3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCCCNc1nncc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C15H21N5/c1-4-5-8-16-15-19-14(10-17-20-15)18-13-7-6-11(2)9-12(13)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,18,19,20)
InChIKeyGKFNHVXPJCFKOI-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.44
Rot. Bonds6

About 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine

3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112940162) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112940162
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCCCNc1nncc(Nc2ccc(C)cc2C)n1
InChIInChI=1S/C15H21N5/c1-4-5-8-16-15-19-14(10-17-20-15)18-13-7-6-11(2)9-12(13)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,18,19,20)
InChIKeyGKFNHVXPJCFKOI-UHFFFAOYSA-N
XLogP3.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-benzyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947761
5-N-(2,4-dimethylphenyl)-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952684
5-N-(2,5-dimethylphenyl)-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943931
5-N-(2,4-dimethylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954036
5-N-(2,4-dimethylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962950
5-N-(2,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959689
3-N-(2,4-dimethylphenyl)-5-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959570
5-N-butyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939963
5-N-(2,3-dimethylphenyl)-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963040
5-N-(4-chloro-2-methylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963232
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948862
5-N-benzyl-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947589

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112940162) is 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine is CCCCNc1nncc(Nc2ccc(C)cc2C)n1.
What is the InChIKey of 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is GKFNHVXPJCFKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-5-8-16-15-19-14(10-17-20-15)18-13-7-6-11(2)9-12(13)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112940162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).