3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine

C14H14N6O — CID 112961841

IUPAC3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2nncc(Nc3ccccc3C)n2)no1
InChIInChI=1S/C14H14N6O/c1-9-5-3-4-6-11(9)16-13-8-15-19-14(18-13)17-12-7-10(2)21-20-12/h3-8H,1-2H3,(H2,16,17,18,19,20)
InChIKeySUQIBBWIGKOZOE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.96
Rot. Bonds4

About 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine

3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112961841) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112961841
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2nncc(Nc3ccccc3C)n2)no1
InChIInChI=1S/C14H14N6O/c1-9-5-3-4-6-11(9)16-13-8-15-19-14(18-13)17-12-7-10(2)21-20-12/h3-8H,1-2H3,(H2,16,17,18,19,20)
InChIKeySUQIBBWIGKOZOE-UHFFFAOYSA-N
XLogP2.96
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

5-N-(2-bromophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112969146
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964683
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112969357
3-N-(2-ethoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967564
3-N-(4-fluorophenyl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961761
5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961753
5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961888
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869
3-N-(4-methoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967457
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112966752
3-N-(3-bromo-4-methylphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967058
5-N-(4-fluorophenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961865

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112961841) is 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cc(Nc2nncc(Nc3ccccc3C)n2)no1.
What is the InChIKey of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is SUQIBBWIGKOZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-5-3-4-6-11(9)16-13-8-15-19-14(18-13)17-12-7-10(2)21-20-12/h3-8H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 282.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).