4,5-dimethyltriazol-1-amine;ethane

C6H14N4 — CID 169203689

IUPAC4,5-dimethyltriazol-1-amine;ethane
SMILESCC.Cc1nnn(N)c1C
InChIInChI=1S/C4H8N4.C2H6/c1-3-4(2)8(5)7-6-3;1-2/h5H2,1-2H3;1-2H3
InChIKeyUJLACVJNUIHNSJ-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.63
Rot. Bonds

About 4,5-dimethyltriazol-1-amine;ethane

4,5-dimethyltriazol-1-amine;ethane (PubChem CID 169203689) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 4,5-dimethyltriazol-1-amine;ethane.

Molecular Properties

Compound Name4,5-dimethyltriazol-1-amine;ethane
PubChem CID169203689
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name4,5-dimethyltriazol-1-amine;ethane
SMILESCC.Cc1nnn(N)c1C
InChIInChI=1S/C4H8N4.C2H6/c1-3-4(2)8(5)7-6-3;1-2/h5H2,1-2H3;1-2H3
InChIKeyUJLACVJNUIHNSJ-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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyltriazol-1-amine;ethane?
The IUPAC name of 4,5-dimethyltriazol-1-amine;ethane (CID 169203689) is 4,5-dimethyltriazol-1-amine;ethane.
What is the SMILES notation for 4,5-dimethyltriazol-1-amine;ethane?
The canonical SMILES for 4,5-dimethyltriazol-1-amine;ethane is CC.Cc1nnn(N)c1C.
What is the InChIKey of 4,5-dimethyltriazol-1-amine;ethane?
The InChIKey is UJLACVJNUIHNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C2H6/c1-3-4(2)8(5)7-6-3;1-2/h5H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyltriazol-1-amine;ethane?
4,5-dimethyltriazol-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 4,5-dimethyltriazol-1-amine;ethane is sourced from PubChem (CID 169203689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).