4-methyl-1,2,4-triazole;propane

C6H13N3 — CID 143333945

IUPAC4-methyl-1,2,4-triazole;propane
SMILESCCC.Cn1cnnc1
InChIInChI=1S/C3H5N3.C3H8/c1-6-2-4-5-3-6;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyAGFYQNQXBRMKNK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.23
Rot. Bonds

About 4-methyl-1,2,4-triazole;propane

4-methyl-1,2,4-triazole;propane (PubChem CID 143333945) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methyl-1,2,4-triazole;propane.

Molecular Properties

Compound Name4-methyl-1,2,4-triazole;propane
PubChem CID143333945
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-methyl-1,2,4-triazole;propane
SMILESCCC.Cn1cnnc1
InChIInChI=1S/C3H5N3.C3H8/c1-6-2-4-5-3-6;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyAGFYQNQXBRMKNK-UHFFFAOYSA-N
XLogP1.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,4-triazole;propane?
The IUPAC name of 4-methyl-1,2,4-triazole;propane (CID 143333945) is 4-methyl-1,2,4-triazole;propane.
What is the SMILES notation for 4-methyl-1,2,4-triazole;propane?
The canonical SMILES for 4-methyl-1,2,4-triazole;propane is CCC.Cn1cnnc1.
What is the InChIKey of 4-methyl-1,2,4-triazole;propane?
The InChIKey is AGFYQNQXBRMKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.C3H8/c1-6-2-4-5-3-6;1-3-2/h2-3H,1H3;3H2,1-2H3.
What are the key properties of 4-methyl-1,2,4-triazole;propane?
4-methyl-1,2,4-triazole;propane has a molecular weight of 127.19 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4-triazole;propane is sourced from PubChem (CID 143333945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).