bis(1-carbamimidoylguanidine);dihydrochloride

C4H16Cl2N10 — CID 176545553

IUPACbis(1-carbamimidoylguanidine);dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N/C(N)=N/[H].[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/2C2H7N5.2ClH/c2*3-1(4)7-2(5)6;;/h2*(H7,3,4,5,6,7);2*1H
InChIKeyASGNNPHSWMJQLH-UHFFFAOYSA-N
MW275.15 g/mol
LogP-2.43
Rot. Bonds

About bis(1-carbamimidoylguanidine);dihydrochloride

bis(1-carbamimidoylguanidine);dihydrochloride (PubChem CID 176545553) has the molecular formula C4H16Cl2N10 and a molecular weight of 275.15 g/mol. Its IUPAC name is bis(1-carbamimidoylguanidine);dihydrochloride.

Molecular Properties

Compound Namebis(1-carbamimidoylguanidine);dihydrochloride
PubChem CID176545553
Molecular FormulaC4H16Cl2N10
Molecular Weight275.15 g/mol
Exact Mass274.09
IUPAC Namebis(1-carbamimidoylguanidine);dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N/C(N)=N/[H].[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/2C2H7N5.2ClH/c2*3-1(4)7-2(5)6;;/h2*(H7,3,4,5,6,7);2*1H
InChIKeyASGNNPHSWMJQLH-UHFFFAOYSA-N
XLogP-2.43
TPSA223.54 Ų
H-Bond Donors10
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.15
LogP ≤ 5-2.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 104

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 bis(1-carbamimidoylguanidine);dihydrochloride?
The IUPAC name of bis(1-carbamimidoylguanidine);dihydrochloride (CID 176545553) is bis(1-carbamimidoylguanidine);dihydrochloride.
What is the SMILES notation for bis(1-carbamimidoylguanidine);dihydrochloride?
The canonical SMILES for bis(1-carbamimidoylguanidine);dihydrochloride is Cl.Cl.[H]/N=C(\N)N/C(N)=N/[H].[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of bis(1-carbamimidoylguanidine);dihydrochloride?
The InChIKey is ASGNNPHSWMJQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7N5.2ClH/c2*3-1(4)7-2(5)6;;/h2*(H7,3,4,5,6,7);2*1H.
What are the key properties of bis(1-carbamimidoylguanidine);dihydrochloride?
bis(1-carbamimidoylguanidine);dihydrochloride has a molecular weight of 275.15 g/mol, XLogP of -2.43, 0 rotatable bonds, 10 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-carbamimidoylguanidine);dihydrochloride is sourced from PubChem (CID 176545553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).