4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C11H17N7O — CID 80857692

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C11H17N7O/c1-5-6-19-11-15-9(12-4)14-10(16-11)18-8(3)13-7(2)17-18/h5-6H2,1-4H3,(H,12,14,15,16)
InChIKeyQXVCEVGRSSLJFG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.90
Rot. Bonds5

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80857692) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80857692
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(-n2nc(C)nc2C)n1
InChIInChI=1S/C11H17N7O/c1-5-6-19-11-15-9(12-4)14-10(16-11)18-8(3)13-7(2)17-18/h5-6H2,1-4H3,(H,12,14,15,16)
InChIKeyQXVCEVGRSSLJFG-UHFFFAOYSA-N
XLogP0.90
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80857105
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80854145
4-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80857691
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80857869
4-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80828072
4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80856196
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80901059
4-(3,5-diethylpyrazol-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 82698976
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 80857692) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(-n2nc(C)nc2C)n1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is QXVCEVGRSSLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-5-6-19-11-15-9(12-4)14-10(16-11)18-8(3)13-7(2)17-18/h5-6H2,1-4H3,(H,12,14,15,16).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 263.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).