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

C3H3Cl2N3 — CID 45090542

IUPAC3,5-dichloro-4-methyl-1,2,4-triazole
SMILESCn1c(Cl)nnc1Cl
InChIInChI=1S/C3H3Cl2N3/c1-8-2(4)6-7-3(8)5/h1H3
InChIKeyPTYSJUCNMCIREW-UHFFFAOYSA-N
MW151.98 g/mol
LogP1.12
Rot. Bonds

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

3,5-dichloro-4-methyl-1,2,4-triazole (PubChem CID 45090542) has the molecular formula C3H3Cl2N3 and a molecular weight of 151.98 g/mol. Its IUPAC name is 3,5-dichloro-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dichloro-4-methyl-1,2,4-triazole
PubChem CID45090542
Molecular FormulaC3H3Cl2N3
Molecular Weight151.98 g/mol
Exact Mass150.97
IUPAC Name3,5-dichloro-4-methyl-1,2,4-triazole
SMILESCn1c(Cl)nnc1Cl
InChIInChI=1S/C3H3Cl2N3/c1-8-2(4)6-7-3(8)5/h1H3
InChIKeyPTYSJUCNMCIREW-UHFFFAOYSA-N
XLogP1.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.98
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methyl-1,2,4-triazole?
The IUPAC name of 3,5-dichloro-4-methyl-1,2,4-triazole (CID 45090542) is 3,5-dichloro-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3,5-dichloro-4-methyl-1,2,4-triazole?
The canonical SMILES for 3,5-dichloro-4-methyl-1,2,4-triazole is Cn1c(Cl)nnc1Cl.
What is the InChIKey of 3,5-dichloro-4-methyl-1,2,4-triazole?
The InChIKey is PTYSJUCNMCIREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2N3/c1-8-2(4)6-7-3(8)5/h1H3.
What are the key properties of 3,5-dichloro-4-methyl-1,2,4-triazole?
3,5-dichloro-4-methyl-1,2,4-triazole has a molecular weight of 151.98 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methyl-1,2,4-triazole is sourced from PubChem (CID 45090542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).