1-carbamimidoylguanidine;ethane;dihydrate

C4H17N5O2 — CID 176527155

IUPAC1-carbamimidoylguanidine;ethane;dihydrate
SMILESCC.O.O.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C2H7N5.C2H6.2H2O/c3-1(4)7-2(5)6;1-2;;/h(H7,3,4,5,6,7);1-2H3;2*1H2
InChIKeyOWKRHZKLKVEFMW-UHFFFAOYSA-N
MW167.21 g/mol
LogP-2.26
Rot. Bonds

About 1-carbamimidoylguanidine;ethane;dihydrate

1-carbamimidoylguanidine;ethane;dihydrate (PubChem CID 176527155) has the molecular formula C4H17N5O2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;ethane;dihydrate.

Molecular Properties

Compound Name1-carbamimidoylguanidine;ethane;dihydrate
PubChem CID176527155
Molecular FormulaC4H17N5O2
Molecular Weight167.21 g/mol
Exact Mass167.14
IUPAC Name1-carbamimidoylguanidine;ethane;dihydrate
SMILESCC.O.O.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C2H7N5.C2H6.2H2O/c3-1(4)7-2(5)6;1-2;;/h(H7,3,4,5,6,7);1-2H3;2*1H2
InChIKeyOWKRHZKLKVEFMW-UHFFFAOYSA-N
XLogP-2.26
TPSA174.77 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-2.26
H-Bond Donors ≤ 55
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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Related Compounds

1-carbamimidoylguanidine;methane
CID 176544517
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
1-carbamimidoylguanidine;prop-1-ene
CID 176521577
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
1-carbamimidoylguanidine;octanedioic acid
CID 176518629
1-carbamimidamidoguanidine;hydrobromide
CID 176518952
1-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride
CID 176526326
2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
CID 176524679
1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
CID 176533244

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;ethane;dihydrate?
The IUPAC name of 1-carbamimidoylguanidine;ethane;dihydrate (CID 176527155) is 1-carbamimidoylguanidine;ethane;dihydrate.
What is the SMILES notation for 1-carbamimidoylguanidine;ethane;dihydrate?
The canonical SMILES for 1-carbamimidoylguanidine;ethane;dihydrate is CC.O.O.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;ethane;dihydrate?
The InChIKey is OWKRHZKLKVEFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5.C2H6.2H2O/c3-1(4)7-2(5)6;1-2;;/h(H7,3,4,5,6,7);1-2H3;2*1H2.
What are the key properties of 1-carbamimidoylguanidine;ethane;dihydrate?
1-carbamimidoylguanidine;ethane;dihydrate has a molecular weight of 167.21 g/mol, XLogP of -2.26, 0 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;ethane;dihydrate is sourced from PubChem (CID 176527155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).