4-propyltriazine

C6H9N3 — CID 19973723

IUPAC4-propyltriazine
SMILESCCCc1ccnnn1
InChIInChI=1S/C6H9N3/c1-2-3-6-4-5-7-9-8-6/h4-5H,2-3H2,1H3
InChIKeyWXDHUDMTHPBHFD-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.82
Rot. Bonds2

About 4-propyltriazine

4-propyltriazine (PubChem CID 19973723) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-propyltriazine.

Molecular Properties

Compound Name4-propyltriazine
PubChem CID19973723
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-propyltriazine
SMILESCCCc1ccnnn1
InChIInChI=1S/C6H9N3/c1-2-3-6-4-5-7-9-8-6/h4-5H,2-3H2,1H3
InChIKeyWXDHUDMTHPBHFD-UHFFFAOYSA-N
XLogP0.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyltriazine?
The IUPAC name of 4-propyltriazine (CID 19973723) is 4-propyltriazine.
What is the SMILES notation for 4-propyltriazine?
The canonical SMILES for 4-propyltriazine is CCCc1ccnnn1.
What is the InChIKey of 4-propyltriazine?
The InChIKey is WXDHUDMTHPBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-6-4-5-7-9-8-6/h4-5H,2-3H2,1H3.
What are the key properties of 4-propyltriazine?
4-propyltriazine has a molecular weight of 123.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyltriazine is sourced from PubChem (CID 19973723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).