acetic acid;guanidine;toluene

C10H17N3O2 — CID 160673337

IUPACacetic acid;guanidine;toluene
SMILESCC(=O)O.Cc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C7H8.C2H4O2.CH5N3/c1-7-5-3-2-4-6-7;1-2(3)4;2-1(3)4/h2-6H,1H3;1H3,(H,3,4);(H5,2,3,4)
InChIKeyZZZSNIXYVUJLFZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.92
Rot. Bonds

About acetic acid;guanidine;toluene

acetic acid;guanidine;toluene (PubChem CID 160673337) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is acetic acid;guanidine;toluene.

Molecular Properties

Compound Nameacetic acid;guanidine;toluene
PubChem CID160673337
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameacetic acid;guanidine;toluene
SMILESCC(=O)O.Cc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C7H8.C2H4O2.CH5N3/c1-7-5-3-2-4-6-7;1-2(3)4;2-1(3)4/h2-6H,1H3;1H3,(H,3,4);(H5,2,3,4)
InChIKeyZZZSNIXYVUJLFZ-UHFFFAOYSA-N
XLogP0.92
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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;guanidine;toluene?
The IUPAC name of acetic acid;guanidine;toluene (CID 160673337) is acetic acid;guanidine;toluene.
What is the SMILES notation for acetic acid;guanidine;toluene?
The canonical SMILES for acetic acid;guanidine;toluene is CC(=O)O.Cc1ccccc1.[H]N=C(N)N.
What is the InChIKey of acetic acid;guanidine;toluene?
The InChIKey is ZZZSNIXYVUJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H4O2.CH5N3/c1-7-5-3-2-4-6-7;1-2(3)4;2-1(3)4/h2-6H,1H3;1H3,(H,3,4);(H5,2,3,4).
What are the key properties of acetic acid;guanidine;toluene?
acetic acid;guanidine;toluene has a molecular weight of 211.26 g/mol, XLogP of 0.92, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;toluene is sourced from PubChem (CID 160673337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).