4-ethyltriazine

C5H7N3 — CID 18681208

IUPAC4-ethyltriazine
SMILESCCc1ccnnn1
InChIInChI=1S/C5H7N3/c1-2-5-3-4-6-8-7-5/h3-4H,2H2,1H3
InChIKeyTZSXPFCNIIPDDY-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.43
Rot. Bonds1

About 4-ethyltriazine

4-ethyltriazine (PubChem CID 18681208) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-ethyltriazine.

Molecular Properties

Compound Name4-ethyltriazine
PubChem CID18681208
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name4-ethyltriazine
SMILESCCc1ccnnn1
InChIInChI=1S/C5H7N3/c1-2-5-3-4-6-8-7-5/h3-4H,2H2,1H3
InChIKeyTZSXPFCNIIPDDY-UHFFFAOYSA-N
XLogP0.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyltriazine?
The IUPAC name of 4-ethyltriazine (CID 18681208) is 4-ethyltriazine.
What is the SMILES notation for 4-ethyltriazine?
The canonical SMILES for 4-ethyltriazine is CCc1ccnnn1.
What is the InChIKey of 4-ethyltriazine?
The InChIKey is TZSXPFCNIIPDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-5-3-4-6-8-7-5/h3-4H,2H2,1H3.
What are the key properties of 4-ethyltriazine?
4-ethyltriazine has a molecular weight of 109.13 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyltriazine is sourced from PubChem (CID 18681208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).