4-methoxytriazine

C4H5N3O — CID 22168417

IUPAC4-methoxytriazine
SMILESCOc1ccnnn1
InChIInChI=1S/C4H5N3O/c1-8-4-2-3-5-7-6-4/h2-3H,1H3
InChIKeyPRFAXWWHJWIUPI-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.12
Rot. Bonds1

About 4-methoxytriazine

4-methoxytriazine (PubChem CID 22168417) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-methoxytriazine.

Molecular Properties

Compound Name4-methoxytriazine
PubChem CID22168417
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name4-methoxytriazine
SMILESCOc1ccnnn1
InChIInChI=1S/C4H5N3O/c1-8-4-2-3-5-7-6-4/h2-3H,1H3
InChIKeyPRFAXWWHJWIUPI-UHFFFAOYSA-N
XLogP-0.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triazine carbamate
CID 19957948
5-Methoxy-1H-pyrazol-1-amine
CID 20276052
Ethoxy-triazine
CID 23323025
3-Methoxypyrazol-1-amine
CID 86205723
Triazinyl acetate
CID 129812309
4-[Chloro(difluoro)methoxy]triazine
CID 21749685
4-(2,2,2-Trifluoroethoxy)triazine
CID 153681004
Methyldioxytriazin
CID 129647227
Thiomethoxytriazine
CID 129662295
Cyanomethoxytriazine
CID 129798959
4-(Chloromethoxy)triazine
CID 18934300
4-(Trichloromethoxy)triazine
CID 19104358

Frequently Asked Questions

What is the IUPAC name of 4-methoxytriazine?
The IUPAC name of 4-methoxytriazine (CID 22168417) is 4-methoxytriazine.
What is the SMILES notation for 4-methoxytriazine?
The canonical SMILES for 4-methoxytriazine is COc1ccnnn1.
What is the InChIKey of 4-methoxytriazine?
The InChIKey is PRFAXWWHJWIUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-8-4-2-3-5-7-6-4/h2-3H,1H3.
What are the key properties of 4-methoxytriazine?
4-methoxytriazine has a molecular weight of 111.10 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxytriazine is sourced from PubChem (CID 22168417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).