4-chloro-5-methoxytriazine

C4H4ClN3O — CID 154129346

IUPAC4-chloro-5-methoxytriazine
SMILESCOc1cnnnc1Cl
InChIInChI=1S/C4H4ClN3O/c1-9-3-2-6-8-7-4(3)5/h2H,1H3
InChIKeyCQIJFPCXYYGGDY-UHFFFAOYSA-N
MW145.55 g/mol
LogP0.53
Rot. Bonds1

About 4-chloro-5-methoxytriazine

4-chloro-5-methoxytriazine (PubChem CID 154129346) has the molecular formula C4H4ClN3O and a molecular weight of 145.55 g/mol. Its IUPAC name is 4-chloro-5-methoxytriazine.

Molecular Properties

Compound Name4-chloro-5-methoxytriazine
PubChem CID154129346
Molecular FormulaC4H4ClN3O
Molecular Weight145.55 g/mol
Exact Mass145.00
IUPAC Name4-chloro-5-methoxytriazine
SMILESCOc1cnnnc1Cl
InChIInChI=1S/C4H4ClN3O/c1-9-3-2-6-8-7-4(3)5/h2H,1H3
InChIKeyCQIJFPCXYYGGDY-UHFFFAOYSA-N
XLogP0.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-pentoxytriazine
CID 88526030
3-tert-butyl-4-chloro-5-methoxypyridazine
CID 146377529
3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine
CID 155242892
2-chloro-3-methoxy-5-methylpyridine
CID 46318108
4-chloro-2-ethenyl-5-methoxypyrimidine
CID 175485449
3-chloro-6-ethylsulfanyl-4-methoxypyridazine
CID 170557114
methyl 6-chloro-5-methoxypyridazine-3-carboxylate
CID 169452804
(3-chloro-6,7-dimethoxyquinoxalin-2-yl)hydrazine
CID 142406445
1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
CID 163278723
3,4-dichloro-5-methoxypyridine
CID 122362461
(2,4-dichloropyrimidin-5-yl)-(2-methoxyphenyl)methanol
CID 59753866
4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine
CID 141066405

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxytriazine?
The IUPAC name of 4-chloro-5-methoxytriazine (CID 154129346) is 4-chloro-5-methoxytriazine.
What is the SMILES notation for 4-chloro-5-methoxytriazine?
The canonical SMILES for 4-chloro-5-methoxytriazine is COc1cnnnc1Cl.
What is the InChIKey of 4-chloro-5-methoxytriazine?
The InChIKey is CQIJFPCXYYGGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O/c1-9-3-2-6-8-7-4(3)5/h2H,1H3.
What are the key properties of 4-chloro-5-methoxytriazine?
4-chloro-5-methoxytriazine has a molecular weight of 145.55 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxytriazine is sourced from PubChem (CID 154129346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).