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

C6H9N3 — CID 20700907

IUPAC5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnncn1
InChIInChI=1S/C6H9N3/c1-5(2)6-3-8-9-4-7-6/h3-5H,1-2H3
InChIKeyVPIVGPXKRIKKNA-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.00
Rot. Bonds1

About 5-propan-2-yl-1,2,4-triazine

5-propan-2-yl-1,2,4-triazine (PubChem CID 20700907) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-propan-2-yl-1,2,4-triazine
PubChem CID20700907
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnncn1
InChIInChI=1S/C6H9N3/c1-5(2)6-3-8-9-4-7-6/h3-5H,1-2H3
InChIKeyVPIVGPXKRIKKNA-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 5-propan-2-yl-1,2,4-triazine?
The IUPAC name of 5-propan-2-yl-1,2,4-triazine (CID 20700907) is 5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 5-propan-2-yl-1,2,4-triazine is CC(C)c1cnncn1.
What is the InChIKey of 5-propan-2-yl-1,2,4-triazine?
The InChIKey is VPIVGPXKRIKKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(2)6-3-8-9-4-7-6/h3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-1,2,4-triazine?
5-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 5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 20700907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).