3,5-dimethyl-1,2,4-triazol-1-amine;ethane

C6H14N4 — CID 169246730

IUPAC3,5-dimethyl-1,2,4-triazol-1-amine;ethane
SMILESCC.Cc1nc(C)n(N)n1
InChIInChI=1S/C4H8N4.C2H6/c1-3-6-4(2)8(5)7-3;1-2/h5H2,1-2H3;1-2H3
InChIKeyZBORGEYXINOBQH-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.63
Rot. Bonds

About 3,5-dimethyl-1,2,4-triazol-1-amine;ethane

3,5-dimethyl-1,2,4-triazol-1-amine;ethane (PubChem CID 169246730) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-triazol-1-amine;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-triazol-1-amine;ethane
PubChem CID169246730
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name3,5-dimethyl-1,2,4-triazol-1-amine;ethane
SMILESCC.Cc1nc(C)n(N)n1
InChIInChI=1S/C4H8N4.C2H6/c1-3-6-4(2)8(5)7-3;1-2/h5H2,1-2H3;1-2H3
InChIKeyZBORGEYXINOBQH-UHFFFAOYSA-N
XLogP0.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
1H-1,2,4-Triazole, 3,5-dimethyl-
CID 139001
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
5-Methyl-4H-1,2,4-triazole-3,4-diamine
CID 574645
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
1H-1,2,4-Triazole, 3-azido-5-methyl-
CID 135470574
N,N,3,5-tetramethyl-1,2,4-triazol-4-amine
CID 3419382
3,5-Dipropyl-1,2,4-triazol-4-ylamine
CID 2758722
3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine
CID 4210849
4H-1,2,4-Triazol-4-amine, 3,5-bis(chloromethyl)-
CID 2794180
3-Ethyl-5-hydrazino-1,2,4-triazole-4-ylamine
CID 2794216
3-hydrazinyl-5-methyl-4H-1,2,4-triazol-4-amine
CID 2794224

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-triazol-1-amine;ethane?
The IUPAC name of 3,5-dimethyl-1,2,4-triazol-1-amine;ethane (CID 169246730) is 3,5-dimethyl-1,2,4-triazol-1-amine;ethane.
What is the SMILES notation for 3,5-dimethyl-1,2,4-triazol-1-amine;ethane?
The canonical SMILES for 3,5-dimethyl-1,2,4-triazol-1-amine;ethane is CC.Cc1nc(C)n(N)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-triazol-1-amine;ethane?
The InChIKey is ZBORGEYXINOBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C2H6/c1-3-6-4(2)8(5)7-3;1-2/h5H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-triazol-1-amine;ethane?
3,5-dimethyl-1,2,4-triazol-1-amine;ethane has a molecular weight of 142.21 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4-triazol-1-amine;ethane is sourced from PubChem (CID 169246730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).