5-propan-2-yl-2H-1,3,5-triazine

C6H11N3 — CID 170282401

IUPAC5-propan-2-yl-2H-1,3,5-triazine
SMILESCC(C)N1C=NCN=C1
InChIInChI=1S/C6H11N3/c1-6(2)9-4-7-3-8-5-9/h4-6H,3H2,1-2H3
InChIKeyVUZWZECTVYICDO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.72
Rot. Bonds1

About 5-propan-2-yl-2H-1,3,5-triazine

5-propan-2-yl-2H-1,3,5-triazine (PubChem CID 170282401) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-propan-2-yl-2H-1,3,5-triazine.

Molecular Properties

Compound Name5-propan-2-yl-2H-1,3,5-triazine
PubChem CID170282401
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-propan-2-yl-2H-1,3,5-triazine
SMILESCC(C)N1C=NCN=C1
InChIInChI=1S/C6H11N3/c1-6(2)9-4-7-3-8-5-9/h4-6H,3H2,1-2H3
InChIKeyVUZWZECTVYICDO-UHFFFAOYSA-N
XLogP0.72
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.72
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-2H-1,3,5-triazine?
The IUPAC name of 5-propan-2-yl-2H-1,3,5-triazine (CID 170282401) is 5-propan-2-yl-2H-1,3,5-triazine.
What is the SMILES notation for 5-propan-2-yl-2H-1,3,5-triazine?
The canonical SMILES for 5-propan-2-yl-2H-1,3,5-triazine is CC(C)N1C=NCN=C1.
What is the InChIKey of 5-propan-2-yl-2H-1,3,5-triazine?
The InChIKey is VUZWZECTVYICDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(2)9-4-7-3-8-5-9/h4-6H,3H2,1-2H3.
What are the key properties of 5-propan-2-yl-2H-1,3,5-triazine?
5-propan-2-yl-2H-1,3,5-triazine has a molecular weight of 125.17 g/mol, XLogP of 0.72, 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-2H-1,3,5-triazine is sourced from PubChem (CID 170282401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).