6-propyl-1,2,4-triazine

C6H9N3 — CID 20527758

IUPAC6-propyl-1,2,4-triazine
SMILESCCCc1cncnn1
InChIInChI=1S/C6H9N3/c1-2-3-6-4-7-5-8-9-6/h4-5H,2-3H2,1H3
InChIKeyIBLBZHQZULZVFF-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.82
Rot. Bonds2

About 6-propyl-1,2,4-triazine

6-propyl-1,2,4-triazine (PubChem CID 20527758) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 6-propyl-1,2,4-triazine.

Molecular Properties

Compound Name6-propyl-1,2,4-triazine
PubChem CID20527758
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name6-propyl-1,2,4-triazine
SMILESCCCc1cncnn1
InChIInChI=1S/C6H9N3/c1-2-3-6-4-7-5-8-9-6/h4-5H,2-3H2,1H3
InChIKeyIBLBZHQZULZVFF-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 6-propyl-1,2,4-triazine?
The IUPAC name of 6-propyl-1,2,4-triazine (CID 20527758) is 6-propyl-1,2,4-triazine.
What is the SMILES notation for 6-propyl-1,2,4-triazine?
The canonical SMILES for 6-propyl-1,2,4-triazine is CCCc1cncnn1.
What is the InChIKey of 6-propyl-1,2,4-triazine?
The InChIKey is IBLBZHQZULZVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-3-6-4-7-5-8-9-6/h4-5H,2-3H2,1H3.
What are the key properties of 6-propyl-1,2,4-triazine?
6-propyl-1,2,4-triazine 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 6-propyl-1,2,4-triazine is sourced from PubChem (CID 20527758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).