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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Related Compounds

3-chloro-5-(4-methoxyphenoxy)-1,2,4-triazine
CID 115001246
3-chloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine
CID 114999699
3-chloro-5-(1-phenylethoxy)-1,2,4-triazine
CID 114999692
3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
CID 114999587
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
2-chloro-5-phenoxy-3-phenylsulfanylpyrazine
CID 88783098
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
6-phenoxypyrazine-2-carboxamide
CID 21218509
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
chlorobenzene;phenoxybenzene
CID 66911253
2-chloro-5-phenoxy-4,6-diphenylpyrimidine
CID 13327262
2-chloro-5-phenoxypyrimidine;N-methylmethanamine
CID 87411766

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).