3-chloro-5-phenoxy-1,2,4-triazine

C9H6ClN3O — CID 114998935

IUPAC3-chloro-5-phenoxy-1,2,4-triazine
SMILESClc1nncc(Oc2ccccc2)n1
InChIInChI=1S/C9H6ClN3O/c10-9-12-8(6-11-13-9)14-7-4-2-1-3-5-7/h1-6H
InChIKeyVHAJTIHKZVHCKQ-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.32
Rot. Bonds2

About 3-chloro-5-phenoxy-1,2,4-triazine

3-chloro-5-phenoxy-1,2,4-triazine (PubChem CID 114998935) has the molecular formula C9H6ClN3O and a molecular weight of 207.62 g/mol. Its IUPAC name is 3-chloro-5-phenoxy-1,2,4-triazine.

Molecular Properties

Compound Name3-chloro-5-phenoxy-1,2,4-triazine
PubChem CID114998935
Molecular FormulaC9H6ClN3O
Molecular Weight207.62 g/mol
Exact Mass207.02
IUPAC Name3-chloro-5-phenoxy-1,2,4-triazine
SMILESClc1nncc(Oc2ccccc2)n1
InChIInChI=1S/C9H6ClN3O/c10-9-12-8(6-11-13-9)14-7-4-2-1-3-5-7/h1-6H
InChIKeyVHAJTIHKZVHCKQ-UHFFFAOYSA-N
XLogP2.32
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenoxy-1,2,4-triazine?
The IUPAC name of 3-chloro-5-phenoxy-1,2,4-triazine (CID 114998935) is 3-chloro-5-phenoxy-1,2,4-triazine.
What is the SMILES notation for 3-chloro-5-phenoxy-1,2,4-triazine?
The canonical SMILES for 3-chloro-5-phenoxy-1,2,4-triazine is Clc1nncc(Oc2ccccc2)n1.
What is the InChIKey of 3-chloro-5-phenoxy-1,2,4-triazine?
The InChIKey is VHAJTIHKZVHCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O/c10-9-12-8(6-11-13-9)14-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-chloro-5-phenoxy-1,2,4-triazine?
3-chloro-5-phenoxy-1,2,4-triazine has a molecular weight of 207.62 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenoxy-1,2,4-triazine is sourced from PubChem (CID 114998935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).