5-methyl-1,2,4-triazole-3,4-diamine

C3H7N5 — CID 574645

IUPAC5-methyl-1,2,4-triazole-3,4-diamine
SMILESCc1nnc(N)n1N
InChIInChI=1S/C3H7N5/c1-2-6-7-3(4)8(2)5/h5H2,1H3,(H2,4,7)
InChIKeyUHOFPBXQUTZOKZ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.12
Rot. Bonds

About 5-methyl-1,2,4-triazole-3,4-diamine

5-methyl-1,2,4-triazole-3,4-diamine (PubChem CID 574645) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-methyl-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-methyl-1,2,4-triazole-3,4-diamine
PubChem CID574645
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name5-methyl-1,2,4-triazole-3,4-diamine
SMILESCc1nnc(N)n1N
InChIInChI=1S/C3H7N5/c1-2-6-7-3(4)8(2)5/h5H2,1H3,(H2,4,7)
InChIKeyUHOFPBXQUTZOKZ-UHFFFAOYSA-N
XLogP-1.12
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-methyl-1,2,4-triazole-3,4-diamine (CID 574645) is 5-methyl-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-methyl-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-methyl-1,2,4-triazole-3,4-diamine is Cc1nnc(N)n1N.
What is the InChIKey of 5-methyl-1,2,4-triazole-3,4-diamine?
The InChIKey is UHOFPBXQUTZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5/c1-2-6-7-3(4)8(2)5/h5H2,1H3,(H2,4,7).
What are the key properties of 5-methyl-1,2,4-triazole-3,4-diamine?
5-methyl-1,2,4-triazole-3,4-diamine has a molecular weight of 113.12 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 574645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).