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

C4H10N4 — CID 126543924

IUPAC3,4-dimethyl-2H-triazol-1-amine
SMILESCC1=CN(N)NN1C
InChIInChI=1S/C4H10N4/c1-4-3-8(5)6-7(4)2/h3,6H,5H2,1-2H3
InChIKeyTZDQQEVRJLXBCY-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.61
Rot. Bonds

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

3,4-dimethyl-2H-triazol-1-amine (PubChem CID 126543924) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 3,4-dimethyl-2H-triazol-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-2H-triazol-1-amine
PubChem CID126543924
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name3,4-dimethyl-2H-triazol-1-amine
SMILESCC1=CN(N)NN1C
InChIInChI=1S/C4H10N4/c1-4-3-8(5)6-7(4)2/h3,6H,5H2,1-2H3
InChIKeyTZDQQEVRJLXBCY-UHFFFAOYSA-N
XLogP-0.61
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2H-triazol-1-amine?
The IUPAC name of 3,4-dimethyl-2H-triazol-1-amine (CID 126543924) is 3,4-dimethyl-2H-triazol-1-amine.
What is the SMILES notation for 3,4-dimethyl-2H-triazol-1-amine?
The canonical SMILES for 3,4-dimethyl-2H-triazol-1-amine is CC1=CN(N)NN1C.
What is the InChIKey of 3,4-dimethyl-2H-triazol-1-amine?
The InChIKey is TZDQQEVRJLXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-4-3-8(5)6-7(4)2/h3,6H,5H2,1-2H3.
What are the key properties of 3,4-dimethyl-2H-triazol-1-amine?
3,4-dimethyl-2H-triazol-1-amine has a molecular weight of 114.15 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2H-triazol-1-amine is sourced from PubChem (CID 126543924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).