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

C17H20N6O — CID 112959551

IUPAC3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2cnnc(N(Cc3ccccc3)C(C)C)n2)no1
InChIInChI=1S/C17H20N6O/c1-12(2)23(11-14-7-5-4-6-8-14)17-20-16(10-18-21-17)19-15-9-13(3)24-22-15/h4-10,12H,11H2,1-3H3,(H,19,20,21,22)
InChIKeyBOQQAQGUDMTBPT-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.33
Rot. Bonds6

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

3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112959551) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112959551
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2cnnc(N(Cc3ccccc3)C(C)C)n2)no1
InChIInChI=1S/C17H20N6O/c1-12(2)23(11-14-7-5-4-6-8-14)17-20-16(10-18-21-17)19-15-9-13(3)24-22-15/h4-10,12H,11H2,1-3H3,(H,19,20,21,22)
InChIKeyBOQQAQGUDMTBPT-UHFFFAOYSA-N
XLogP3.33
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925140
3-N-benzyl-5-N-(2,5-dimethylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959476
3-N-benzyl-5-N-(2-methoxy-5-methylphenyl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959508
methyl 3-[[3-[benzyl(propan-2-yl)amino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112959522
3-N-benzyl-5-N-[(2-methoxyphenyl)methyl]-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112950773
N-benzyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109161151
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
5-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109287764
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964683
N-benzyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109239728
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961841

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112959551) is 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is Cc1cc(Nc2cnnc(N(Cc3ccccc3)C(C)C)n2)no1.
What is the InChIKey of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is BOQQAQGUDMTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12(2)23(11-14-7-5-4-6-8-14)17-20-16(10-18-21-17)19-15-9-13(3)24-22-15/h4-10,12H,11H2,1-3H3,(H,19,20,21,22).
What are the key properties of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 324.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).