butanoic acid;1,3,5-triazine

C7H11N3O2 — CID 162067736

IUPACbutanoic acid;1,3,5-triazine
SMILESCCCC(=O)O.c1ncncn1
InChIInChI=1S/C4H8O2.C3H3N3/c1-2-3-4(5)6;1-4-2-6-3-5-1/h2-3H2,1H3,(H,5,6);1-3H
InChIKeyZARDQEZPRYTZAK-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.74
Rot. Bonds2

About butanoic acid;1,3,5-triazine

butanoic acid;1,3,5-triazine (PubChem CID 162067736) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is butanoic acid;1,3,5-triazine.

Molecular Properties

Compound Namebutanoic acid;1,3,5-triazine
PubChem CID162067736
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namebutanoic acid;1,3,5-triazine
SMILESCCCC(=O)O.c1ncncn1
InChIInChI=1S/C4H8O2.C3H3N3/c1-2-3-4(5)6;1-4-2-6-3-5-1/h2-3H2,1H3,(H,5,6);1-3H
InChIKeyZARDQEZPRYTZAK-UHFFFAOYSA-N
XLogP0.74
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butanoic acid;1,3,5-triazine?
The IUPAC name of butanoic acid;1,3,5-triazine (CID 162067736) is butanoic acid;1,3,5-triazine.
What is the SMILES notation for butanoic acid;1,3,5-triazine?
The canonical SMILES for butanoic acid;1,3,5-triazine is CCCC(=O)O.c1ncncn1.
What is the InChIKey of butanoic acid;1,3,5-triazine?
The InChIKey is ZARDQEZPRYTZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H3N3/c1-2-3-4(5)6;1-4-2-6-3-5-1/h2-3H2,1H3,(H,5,6);1-3H.
What are the key properties of butanoic acid;1,3,5-triazine?
butanoic acid;1,3,5-triazine has a molecular weight of 169.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;1,3,5-triazine is sourced from PubChem (CID 162067736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).