4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C13H18N8 — CID 80786268

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CC3CCC2C3)nc(-n2cncn2)n1
InChIInChI=1S/C13H18N8/c1-2-15-11-17-12(20-6-9-3-4-10(20)5-9)19-13(18-11)21-8-14-7-16-21/h7-10H,2-6H2,1H3,(H,15,17,18,19)
InChIKeyAAWNJKODGVGJGA-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.87
Rot. Bonds4

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80786268) has the molecular formula C13H18N8 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80786268
Molecular FormulaC13H18N8
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CC3CCC2C3)nc(-n2cncn2)n1
InChIInChI=1S/C13H18N8/c1-2-15-11-17-12(20-6-9-3-4-10(20)5-9)19-13(18-11)21-8-14-7-16-21/h7-10H,2-6H2,1H3,(H,15,17,18,19)
InChIKeyAAWNJKODGVGJGA-UHFFFAOYSA-N
XLogP0.87
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941
N-ethyl-4-(oxolan-3-yloxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80877046
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
4-N-ethyl-2-N-(thiolan-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80841679
N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765891
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
2-N-(2-chlorophenyl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 110190044
2-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82751417
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80786268) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(N2CC3CCC2C3)nc(-n2cncn2)n1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AAWNJKODGVGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8/c1-2-15-11-17-12(20-6-9-3-4-10(20)5-9)19-13(18-11)21-8-14-7-16-21/h7-10H,2-6H2,1H3,(H,15,17,18,19).
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80786268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).