3-chloro-5,6-dimethyl-1,2,4-triazine

C5H6ClN3 — CID 45076266

IUPAC3-chloro-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(Cl)nc1C
InChIInChI=1S/C5H6ClN3/c1-3-4(2)8-9-5(6)7-3/h1-2H3
InChIKeyYNQQOBSXTSETIV-UHFFFAOYSA-N
MW143.58 g/mol
LogP1.14
Rot. Bonds

About 3-chloro-5,6-dimethyl-1,2,4-triazine

3-chloro-5,6-dimethyl-1,2,4-triazine (PubChem CID 45076266) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-1,2,4-triazine
PubChem CID45076266
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name3-chloro-5,6-dimethyl-1,2,4-triazine
SMILESCc1nnc(Cl)nc1C
InChIInChI=1S/C5H6ClN3/c1-3-4(2)8-9-5(6)7-3/h1-2H3
InChIKeyYNQQOBSXTSETIV-UHFFFAOYSA-N
XLogP1.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-1,2,4-triazine?
The IUPAC name of 3-chloro-5,6-dimethyl-1,2,4-triazine (CID 45076266) is 3-chloro-5,6-dimethyl-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-1,2,4-triazine?
The canonical SMILES for 3-chloro-5,6-dimethyl-1,2,4-triazine is Cc1nnc(Cl)nc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-1,2,4-triazine?
The InChIKey is YNQQOBSXTSETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c1-3-4(2)8-9-5(6)7-3/h1-2H3.
What are the key properties of 3-chloro-5,6-dimethyl-1,2,4-triazine?
3-chloro-5,6-dimethyl-1,2,4-triazine has a molecular weight of 143.58 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-1,2,4-triazine is sourced from PubChem (CID 45076266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).