6-propan-2-yl-1,2,4-triazine

C6H9N3 — CID 23570579

IUPAC6-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cncnn1
InChIInChI=1S/C6H9N3/c1-5(2)6-3-7-4-8-9-6/h3-5H,1-2H3
InChIKeyIFWWRIHADZUNKG-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.00
Rot. Bonds1

About 6-propan-2-yl-1,2,4-triazine

6-propan-2-yl-1,2,4-triazine (PubChem CID 23570579) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name6-propan-2-yl-1,2,4-triazine
PubChem CID23570579
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name6-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cncnn1
InChIInChI=1S/C6H9N3/c1-5(2)6-3-7-4-8-9-6/h3-5H,1-2H3
InChIKeyIFWWRIHADZUNKG-UHFFFAOYSA-N
XLogP1.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 6-propan-2-yl-1,2,4-triazine (CID 23570579) is 6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 6-propan-2-yl-1,2,4-triazine is CC(C)c1cncnn1.
What is the InChIKey of 6-propan-2-yl-1,2,4-triazine?
The InChIKey is IFWWRIHADZUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(2)6-3-7-4-8-9-6/h3-5H,1-2H3.
What are the key properties of 6-propan-2-yl-1,2,4-triazine?
6-propan-2-yl-1,2,4-triazine has a molecular weight of 123.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 23570579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).