4-chlorotriazine

C3H2ClN3 — CID 18318800

IUPAC4-chlorotriazine
SMILESClc1ccnnn1
InChIInChI=1S/C3H2ClN3/c4-3-1-2-5-7-6-3/h1-2H
InChIKeyRTNUTCOTGVKVBR-UHFFFAOYSA-N
MW115.52 g/mol
LogP0.52
Rot. Bonds

About 4-chlorotriazine

4-chlorotriazine (PubChem CID 18318800) has the molecular formula C3H2ClN3 and a molecular weight of 115.52 g/mol. Its IUPAC name is 4-chlorotriazine.

Molecular Properties

Compound Name4-chlorotriazine
PubChem CID18318800
Molecular FormulaC3H2ClN3
Molecular Weight115.52 g/mol
Exact Mass114.99
IUPAC Name4-chlorotriazine
SMILESClc1ccnnn1
InChIInChI=1S/C3H2ClN3/c4-3-1-2-5-7-6-3/h1-2H
InChIKeyRTNUTCOTGVKVBR-UHFFFAOYSA-N
XLogP0.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.52
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chlorotriazine?
The IUPAC name of 4-chlorotriazine (CID 18318800) is 4-chlorotriazine.
What is the SMILES notation for 4-chlorotriazine?
The canonical SMILES for 4-chlorotriazine is Clc1ccnnn1.
What is the InChIKey of 4-chlorotriazine?
The InChIKey is RTNUTCOTGVKVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClN3/c4-3-1-2-5-7-6-3/h1-2H.
What are the key properties of 4-chlorotriazine?
4-chlorotriazine has a molecular weight of 115.52 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorotriazine is sourced from PubChem (CID 18318800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).