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

C16H18N6O — CID 112964683

IUPAC3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2nncc(Nc3ccccc3C(C)C)n2)no1
InChIInChI=1S/C16H18N6O/c1-10(2)12-6-4-5-7-13(12)18-15-9-17-21-16(20-15)19-14-8-11(3)23-22-14/h4-10H,1-3H3,(H2,18,19,20,21,22)
InChIKeyMDJVGUOTAVBJTK-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.78
Rot. Bonds5

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

3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112964683) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112964683
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2nncc(Nc3ccccc3C(C)C)n2)no1
InChIInChI=1S/C16H18N6O/c1-10(2)12-6-4-5-7-13(12)18-15-9-17-21-16(20-15)19-14-8-11(3)23-22-14/h4-10H,1-3H3,(H2,18,19,20,21,22)
InChIKeyMDJVGUOTAVBJTK-UHFFFAOYSA-N
XLogP3.78
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961841
5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961753
5-N-(2-bromophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112969146
5-N-(4-chloro-2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964692
3-N-(5-chloro-2-methylphenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964619
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-(3,4-dichlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964667
3-N-tert-butyl-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959041
3-N-(2-ethoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967564
5-N-propan-2-yl-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112938796
3-N-(4-chlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964617
5-N-(2,4-difluorophenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964736

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112964683) is 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-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-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cc(Nc2nncc(Nc3ccccc3C(C)C)n2)no1.
What is the InChIKey of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is MDJVGUOTAVBJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10(2)12-6-4-5-7-13(12)18-15-9-17-21-16(20-15)19-14-8-11(3)23-22-14/h4-10H,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(5-methyl-1,2-oxazol-3-yl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 310.36 g/mol, XLogP of 3.78, 5 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-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).