1-methyl-1,2,4-triazole

C3H5N3 — CID 22459

IUPAC1-methyl-1,2,4-triazole
SMILESCn1cncn1
InChIInChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3
InChIKeyMWZDIEIXRBWPLG-UHFFFAOYSA-N
MW83.09 g/mol
LogP-0.18
Rot. Bonds

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

1-methyl-1,2,4-triazole (PubChem CID 22459) has the molecular formula C3H5N3 and a molecular weight of 83.09 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-1,2,4-triazole
PubChem CID22459
Molecular FormulaC3H5N3
Molecular Weight83.09 g/mol
Exact Mass83.05
IUPAC Name1-methyl-1,2,4-triazole
SMILESCn1cncn1
InChIInChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3
InChIKeyMWZDIEIXRBWPLG-UHFFFAOYSA-N
XLogP-0.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.09
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1,2,4-triazole
CID 11432
Sodium 1H-1,2,4-triazolate
CID 4649906
4H-1,2,4-Triazole, 4-methyl-
CID 66354
1H-Tetrazole, 1-methyl-
CID 140123
1-methyl-1H-1,2,4-triazol-5-amine
CID 566597
1H-1,2,4-triazol-1-amine
CID 11708047
1-Methyl-1H-1,2,4-triazol-3-amine
CID 566503
1H-1,2,4-Triazole-1-carboximidamide
CID 445106
1H-1,2,4-Triazole, 5-chloro-1-methyl-
CID 143398
1-Chloromethyl-1H-1,2,4-triazole
CID 3743882
1,4-Dimethyl-1,2,4-triazolium Iodide
CID 10987916
1-(Difluoromethyl)-1H-1,2,4-triazole
CID 22123563

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,4-triazole?
The IUPAC name of 1-methyl-1,2,4-triazole (CID 22459) is 1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-1,2,4-triazole?
The canonical SMILES for 1-methyl-1,2,4-triazole is Cn1cncn1.
What is the InChIKey of 1-methyl-1,2,4-triazole?
The InChIKey is MWZDIEIXRBWPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3.
What are the key properties of 1-methyl-1,2,4-triazole?
1-methyl-1,2,4-triazole has a molecular weight of 83.09 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,4-triazole is sourced from PubChem (CID 22459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).