4-methoxytriazine;hydrochloride

C4H6ClN3O — CID 67893253

IUPAC4-methoxytriazine;hydrochloride
SMILESCOc1ccnnn1.Cl
InChIInChI=1S/C4H5N3O.ClH/c1-8-4-2-3-5-7-6-4;/h2-3H,1H3;1H
InChIKeyQKYKJWRIWVZCBV-UHFFFAOYSA-N
MW147.57 g/mol
LogP0.30
Rot. Bonds1

About 4-methoxytriazine;hydrochloride

4-methoxytriazine;hydrochloride (PubChem CID 67893253) has the molecular formula C4H6ClN3O and a molecular weight of 147.57 g/mol. Its IUPAC name is 4-methoxytriazine;hydrochloride.

Molecular Properties

Compound Name4-methoxytriazine;hydrochloride
PubChem CID67893253
Molecular FormulaC4H6ClN3O
Molecular Weight147.57 g/mol
Exact Mass147.02
IUPAC Name4-methoxytriazine;hydrochloride
SMILESCOc1ccnnn1.Cl
InChIInChI=1S/C4H5N3O.ClH/c1-8-4-2-3-5-7-6-4;/h2-3H,1H3;1H
InChIKeyQKYKJWRIWVZCBV-UHFFFAOYSA-N
XLogP0.30
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxytriazine;hydrochloride?
The IUPAC name of 4-methoxytriazine;hydrochloride (CID 67893253) is 4-methoxytriazine;hydrochloride.
What is the SMILES notation for 4-methoxytriazine;hydrochloride?
The canonical SMILES for 4-methoxytriazine;hydrochloride is COc1ccnnn1.Cl.
What is the InChIKey of 4-methoxytriazine;hydrochloride?
The InChIKey is QKYKJWRIWVZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.ClH/c1-8-4-2-3-5-7-6-4;/h2-3H,1H3;1H.
What are the key properties of 4-methoxytriazine;hydrochloride?
4-methoxytriazine;hydrochloride has a molecular weight of 147.57 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxytriazine;hydrochloride is sourced from PubChem (CID 67893253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).