2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H20N8O — CID 81064836

IUPAC2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CCOC(C)C)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8O/c1-9(2)21-6-5-19(4)11-16-10(13-3)17-12(18-11)20-8-14-7-15-20/h7-9H,5-6H2,1-4H3,(H,13,16,17,18)
InChIKeyCTGKAYXTXVMCKS-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.36
Rot. Bonds7

About 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 81064836) has the molecular formula C12H20N8O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID81064836
Molecular FormulaC12H20N8O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CCOC(C)C)nc(-n2cncn2)n1
InChIInChI=1S/C12H20N8O/c1-9(2)21-6-5-19(4)11-16-10(13-3)17-12(18-11)20-8-14-7-15-20/h7-9H,5-6H2,1-4H3,(H,13,16,17,18)
InChIKeyCTGKAYXTXVMCKS-UHFFFAOYSA-N
XLogP0.36
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 81062932
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80809298
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80818894
2-methyl-3-[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80809894
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-N-methyl-2-N-(3-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80803827
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
4-chloro-N-methyl-N-(3-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864601
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 81064836) is 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)CCOC(C)C)nc(-n2cncn2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CTGKAYXTXVMCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O/c1-9(2)21-6-5-19(4)11-16-10(13-3)17-12(18-11)20-8-14-7-15-20/h7-9H,5-6H2,1-4H3,(H,13,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 292.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81064836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).