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

C4H8N4 — CID 14338436

IUPAC3,5-dimethyl-1,2,4-triazol-1-amine
SMILESCc1nc(C)n(N)n1
InChIInChI=1S/C4H8N4/c1-3-6-4(2)8(5)7-3/h5H2,1-2H3
InChIKeyYZVKTUICXPMMGA-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.39
Rot. Bonds

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

3,5-dimethyl-1,2,4-triazol-1-amine (PubChem CID 14338436) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-triazol-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4-triazol-1-amine
PubChem CID14338436
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name3,5-dimethyl-1,2,4-triazol-1-amine
SMILESCc1nc(C)n(N)n1
InChIInChI=1S/C4H8N4/c1-3-6-4(2)8(5)7-3/h5H2,1-2H3
InChIKeyYZVKTUICXPMMGA-UHFFFAOYSA-N
XLogP-0.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4-triazol-1-amine?
The IUPAC name of 3,5-dimethyl-1,2,4-triazol-1-amine (CID 14338436) is 3,5-dimethyl-1,2,4-triazol-1-amine.
What is the SMILES notation for 3,5-dimethyl-1,2,4-triazol-1-amine?
The canonical SMILES for 3,5-dimethyl-1,2,4-triazol-1-amine is Cc1nc(C)n(N)n1.
What is the InChIKey of 3,5-dimethyl-1,2,4-triazol-1-amine?
The InChIKey is YZVKTUICXPMMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-3-6-4(2)8(5)7-3/h5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4-triazol-1-amine?
3,5-dimethyl-1,2,4-triazol-1-amine has a molecular weight of 112.14 g/mol, XLogP of -0.39, 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 is sourced from PubChem (CID 14338436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).