acetic acid;guanidine;1H-pyrazole

C6H13N5O2 — CID 174478894

IUPACacetic acid;guanidine;1H-pyrazole
SMILESCC(=O)O.[H]N=C(N)N.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H4O2.CH5N3/c1-2-4-5-3-1;1-2(3)4;2-1(3)4/h1-3H,(H,4,5);1H3,(H,3,4);(H5,2,3,4)
InChIKeyAPACNLUIWCOAIR-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.66
Rot. Bonds

About acetic acid;guanidine;1H-pyrazole

acetic acid;guanidine;1H-pyrazole (PubChem CID 174478894) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is acetic acid;guanidine;1H-pyrazole.

Molecular Properties

Compound Nameacetic acid;guanidine;1H-pyrazole
PubChem CID174478894
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC Nameacetic acid;guanidine;1H-pyrazole
SMILESCC(=O)O.[H]N=C(N)N.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H4O2.CH5N3/c1-2-4-5-3-1;1-2(3)4;2-1(3)4/h1-3H,(H,4,5);1H3,(H,3,4);(H5,2,3,4)
InChIKeyAPACNLUIWCOAIR-UHFFFAOYSA-N
XLogP-0.66
TPSA141.87 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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

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CID 174319781
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1H-pyrazole;pyridine;sulfuric acid
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acetic acid;octadecakis(guanidine)
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CID 69415908
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Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;1H-pyrazole?
The IUPAC name of acetic acid;guanidine;1H-pyrazole (CID 174478894) is acetic acid;guanidine;1H-pyrazole.
What is the SMILES notation for acetic acid;guanidine;1H-pyrazole?
The canonical SMILES for acetic acid;guanidine;1H-pyrazole is CC(=O)O.[H]N=C(N)N.c1cn[nH]c1.
What is the InChIKey of acetic acid;guanidine;1H-pyrazole?
The InChIKey is APACNLUIWCOAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H4O2.CH5N3/c1-2-4-5-3-1;1-2(3)4;2-1(3)4/h1-3H,(H,4,5);1H3,(H,3,4);(H5,2,3,4).
What are the key properties of acetic acid;guanidine;1H-pyrazole?
acetic acid;guanidine;1H-pyrazole has a molecular weight of 187.20 g/mol, XLogP of -0.66, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;1H-pyrazole is sourced from PubChem (CID 174478894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).