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

C15H21N5 — CID 112959034

IUPAC3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(C)cc(Nc2cnnc(NC(C)(C)C)n2)c1
InChIInChI=1S/C15H21N5/c1-10-6-11(2)8-12(7-10)17-13-9-16-20-14(18-13)19-15(3,4)5/h6-9H,1-5H3,(H2,17,18,19,20)
InChIKeyRTZDNOTXUMWVJV-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.44
Rot. Bonds3

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

3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112959034) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112959034
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(C)cc(Nc2cnnc(NC(C)(C)C)n2)c1
InChIInChI=1S/C15H21N5/c1-10-6-11(2)8-12(7-10)17-13-9-16-20-14(18-13)19-15(3,4)5/h6-9H,1-5H3,(H2,17,18,19,20)
InChIKeyRTZDNOTXUMWVJV-UHFFFAOYSA-N
XLogP3.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

Analyze 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(4-tert-butylphenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963483
5-N-(3,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959691
3-N-(2,5-dimethylphenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963213
3-chloro-N-(3,5-dimethylphenyl)-1,2,4-triazin-5-amine
CID 114999612
3-N-[(4-chlorophenyl)methyl]-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950656
5-N-(3,5-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948441
3-N-cycloheptyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959272
5-N-(3,5-dimethylphenyl)-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963476
3-N-[4-(dimethylamino)phenyl]-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963520
3-N-tert-butyl-5-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959054
5-N-(3-chloro-4-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963577
5-N-(3,4-dimethoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963593

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112959034) is 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cc(C)cc(Nc2cnnc(NC(C)(C)C)n2)c1.
What is the InChIKey of 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is RTZDNOTXUMWVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-6-11(2)8-12(7-10)17-13-9-16-20-14(18-13)19-15(3,4)5/h6-9H,1-5H3,(H2,17,18,19,20).
What are the key properties of 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).