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

C7H10ClN3 — CID 75481749

IUPAC3-chloro-5,6-diethyl-1,2,4-triazine
SMILESCCc1nnc(Cl)nc1CC
InChIInChI=1S/C7H10ClN3/c1-3-5-6(4-2)10-11-7(8)9-5/h3-4H2,1-2H3
InChIKeyBYGIVDGDVOWZHP-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.65
Rot. Bonds2

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

3-chloro-5,6-diethyl-1,2,4-triazine (PubChem CID 75481749) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 3-chloro-5,6-diethyl-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5,6-diethyl-1,2,4-triazine
PubChem CID75481749
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name3-chloro-5,6-diethyl-1,2,4-triazine
SMILESCCc1nnc(Cl)nc1CC
InChIInChI=1S/C7H10ClN3/c1-3-5-6(4-2)10-11-7(8)9-5/h3-4H2,1-2H3
InChIKeyBYGIVDGDVOWZHP-UHFFFAOYSA-N
XLogP1.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.65
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-diethyl-1,2,4-triazine?
The IUPAC name of 3-chloro-5,6-diethyl-1,2,4-triazine (CID 75481749) is 3-chloro-5,6-diethyl-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5,6-diethyl-1,2,4-triazine?
The canonical SMILES for 3-chloro-5,6-diethyl-1,2,4-triazine is CCc1nnc(Cl)nc1CC.
What is the InChIKey of 3-chloro-5,6-diethyl-1,2,4-triazine?
The InChIKey is BYGIVDGDVOWZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-3-5-6(4-2)10-11-7(8)9-5/h3-4H2,1-2H3.
What are the key properties of 3-chloro-5,6-diethyl-1,2,4-triazine?
3-chloro-5,6-diethyl-1,2,4-triazine has a molecular weight of 171.63 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-diethyl-1,2,4-triazine is sourced from PubChem (CID 75481749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).