acetic acid;methanimidamide;1,3,5-triazine

C6H11N5O2 — CID 174494983

IUPACacetic acid;methanimidamide;1,3,5-triazine
SMILESCC(=O)O.[H]/N=C/N.c1ncncn1
InChIInChI=1S/C3H3N3.C2H4O2.CH4N2/c1-4-2-6-3-5-1;1-2(3)4;2-1-3/h1-3H;1H3,(H,3,4);1H,(H3,2,3)
InChIKeyAFJWXCRVCDQJOC-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.49
Rot. Bonds

About acetic acid;methanimidamide;1,3,5-triazine

acetic acid;methanimidamide;1,3,5-triazine (PubChem CID 174494983) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is acetic acid;methanimidamide;1,3,5-triazine.

Molecular Properties

Compound Nameacetic acid;methanimidamide;1,3,5-triazine
PubChem CID174494983
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Nameacetic acid;methanimidamide;1,3,5-triazine
SMILESCC(=O)O.[H]/N=C/N.c1ncncn1
InChIInChI=1S/C3H3N3.C2H4O2.CH4N2/c1-4-2-6-3-5-1;1-2(3)4;2-1-3/h1-3H;1H3,(H,3,4);1H,(H3,2,3)
InChIKeyAFJWXCRVCDQJOC-UHFFFAOYSA-N
XLogP-0.49
TPSA125.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.49
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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Related Compounds

Acetic acid--1,3,5-triazine-2,4,6-triamine (1/1)
CID 68833760
Acetic acid;1,3,5-triazine
CID 21844786
2-Aminoacetic acid;1,3,5-triazine
CID 159767782
Acetic acid;1,3,5-triazine
CID 160414656
Propanoic acid;1,3,5-triazine
CID 163846702
calcium;acetic acid;hydride;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 173423869
Acetic acid;1,3,5-triazin-2-amine
CID 174479402
Acetic acid;azane;1,3,5-triazine-2,4,6-triamine
CID 174848447

Frequently Asked Questions

What is the IUPAC name of acetic acid;methanimidamide;1,3,5-triazine?
The IUPAC name of acetic acid;methanimidamide;1,3,5-triazine (CID 174494983) is acetic acid;methanimidamide;1,3,5-triazine.
What is the SMILES notation for acetic acid;methanimidamide;1,3,5-triazine?
The canonical SMILES for acetic acid;methanimidamide;1,3,5-triazine is CC(=O)O.[H]/N=C/N.c1ncncn1.
What is the InChIKey of acetic acid;methanimidamide;1,3,5-triazine?
The InChIKey is AFJWXCRVCDQJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2H4O2.CH4N2/c1-4-2-6-3-5-1;1-2(3)4;2-1-3/h1-3H;1H3,(H,3,4);1H,(H3,2,3).
What are the key properties of acetic acid;methanimidamide;1,3,5-triazine?
acetic acid;methanimidamide;1,3,5-triazine has a molecular weight of 185.19 g/mol, XLogP of -0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanimidamide;1,3,5-triazine is sourced from PubChem (CID 174494983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).