5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine

C11H17N7O — CID 112944890

IUPAC5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2nncc(NCCN(C)C)n2)no1
InChIInChI=1S/C11H17N7O/c1-8-6-9(17-19-8)14-11-15-10(7-13-16-11)12-4-5-18(2)3/h6-7H,4-5H2,1-3H3,(H2,12,14,15,16,17)
InChIKeySYRRBYYDKPPHPT-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.89
Rot. Bonds6

About 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine

5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine (PubChem CID 112944890) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
PubChem CID112944890
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
SMILESCc1cc(Nc2nncc(NCCN(C)C)n2)no1
InChIInChI=1S/C11H17N7O/c1-8-6-9(17-19-8)14-11-15-10(7-13-16-11)12-4-5-18(2)3/h6-7H,4-5H2,1-3H3,(H2,12,14,15,16,17)
InChIKeySYRRBYYDKPPHPT-UHFFFAOYSA-N
XLogP0.89
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-(4-chlorophenyl)-5-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944811
3-N-(2,5-dichlorophenyl)-5-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112944875
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-(dimethylamino)ethyl]-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112944719
3-N-[4-(dimethylamino)phenyl]-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112968881
5-N-[3-(dimethylamino)propyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945506
N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112944839
5-N-[2-(dimethylamino)ethyl]-3-N-(2-ethyl-6-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112944799
3-N-(3,5-dichlorophenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945579
5-N-(2-bromophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112969146
methyl 4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]benzoate
CID 112944842
3-N-(4-methoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967457

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine (CID 112944890) is 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine is Cc1cc(Nc2nncc(NCCN(C)C)n2)no1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
The InChIKey is SYRRBYYDKPPHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-8-6-9(17-19-8)14-11-15-10(7-13-16-11)12-4-5-18(2)3/h6-7H,4-5H2,1-3H3,(H2,12,14,15,16,17).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine?
5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine has a molecular weight of 263.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112944890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).