acetic acid;1,3,5-triazine-2-carboximidamide

C6H9N5O2 — CID 18358920

IUPACacetic acid;1,3,5-triazine-2-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ncncn1
InChIInChI=1S/C4H5N5.C2H4O2/c5-3(6)4-8-1-7-2-9-4;1-2(3)4/h1-2H,(H3,5,6);1H3,(H,3,4)
InChIKeyBSRUJQNIBNCEHK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.75
Rot. Bonds1

About acetic acid;1,3,5-triazine-2-carboximidamide

acetic acid;1,3,5-triazine-2-carboximidamide (PubChem CID 18358920) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is acetic acid;1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Nameacetic acid;1,3,5-triazine-2-carboximidamide
PubChem CID18358920
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Nameacetic acid;1,3,5-triazine-2-carboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ncncn1
InChIInChI=1S/C4H5N5.C2H4O2/c5-3(6)4-8-1-7-2-9-4;1-2(3)4/h1-2H,(H3,5,6);1H3,(H,3,4)
InChIKeyBSRUJQNIBNCEHK-UHFFFAOYSA-N
XLogP-0.75
TPSA125.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3,5-triazine-2-carboximidamide?
The IUPAC name of acetic acid;1,3,5-triazine-2-carboximidamide (CID 18358920) is acetic acid;1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for acetic acid;1,3,5-triazine-2-carboximidamide?
The canonical SMILES for acetic acid;1,3,5-triazine-2-carboximidamide is CC(=O)O.[H]/N=C(\N)c1ncncn1.
What is the InChIKey of acetic acid;1,3,5-triazine-2-carboximidamide?
The InChIKey is BSRUJQNIBNCEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5.C2H4O2/c5-3(6)4-8-1-7-2-9-4;1-2(3)4/h1-2H,(H3,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;1,3,5-triazine-2-carboximidamide?
acetic acid;1,3,5-triazine-2-carboximidamide has a molecular weight of 183.17 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 18358920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).