1-carbamimidoylguanidine;chlorobenzene;piperazine

C12H22ClN7 — CID 176529495

IUPAC1-carbamimidoylguanidine;chlorobenzene;piperazine
SMILESC1CNCCN1.Clc1ccccc1.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C6H5Cl.C4H10N2.C2H7N5/c7-6-4-2-1-3-5-6;1-2-6-4-3-5-1;3-1(4)7-2(5)6/h1-5H;5-6H,1-4H2;(H7,3,4,5,6,7)
InChIKeyAGYHTQBYXNNFEV-UHFFFAOYSA-N
MW299.81 g/mol
LogP-0.12
Rot. Bonds

About 1-carbamimidoylguanidine;chlorobenzene;piperazine

1-carbamimidoylguanidine;chlorobenzene;piperazine (PubChem CID 176529495) has the molecular formula C12H22ClN7 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;chlorobenzene;piperazine.

Molecular Properties

Compound Name1-carbamimidoylguanidine;chlorobenzene;piperazine
PubChem CID176529495
Molecular FormulaC12H22ClN7
Molecular Weight299.81 g/mol
Exact Mass299.16
IUPAC Name1-carbamimidoylguanidine;chlorobenzene;piperazine
SMILESC1CNCCN1.Clc1ccccc1.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C6H5Cl.C4H10N2.C2H7N5/c7-6-4-2-1-3-5-6;1-2-6-4-3-5-1;3-1(4)7-2(5)6/h1-5H;5-6H,1-4H2;(H7,3,4,5,6,7)
InChIKeyAGYHTQBYXNNFEV-UHFFFAOYSA-N
XLogP-0.12
TPSA135.83 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.81
LogP ≤ 5-0.12
H-Bond Donors ≤ 57
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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Related Compounds

1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine
CID 176518410
1-carbamimidoylguanidine;methane
CID 176544517
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
chlorobenzene;chromium
CID 139244081
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
chlorobenzene;hydrazine
CID 69403092
benzene;chlorobenzene
CID 159657667
1-(4-chlorophenyl)-1-phenylguanidine
CID 138104266
4-chlorophenol;piperazine
CID 159117367
chlorobenzene;methanol
CID 20549646

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;chlorobenzene;piperazine?
The IUPAC name of 1-carbamimidoylguanidine;chlorobenzene;piperazine (CID 176529495) is 1-carbamimidoylguanidine;chlorobenzene;piperazine.
What is the SMILES notation for 1-carbamimidoylguanidine;chlorobenzene;piperazine?
The canonical SMILES for 1-carbamimidoylguanidine;chlorobenzene;piperazine is C1CNCCN1.Clc1ccccc1.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;chlorobenzene;piperazine?
The InChIKey is AGYHTQBYXNNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C4H10N2.C2H7N5/c7-6-4-2-1-3-5-6;1-2-6-4-3-5-1;3-1(4)7-2(5)6/h1-5H;5-6H,1-4H2;(H7,3,4,5,6,7).
What are the key properties of 1-carbamimidoylguanidine;chlorobenzene;piperazine?
1-carbamimidoylguanidine;chlorobenzene;piperazine has a molecular weight of 299.81 g/mol, XLogP of -0.12, 0 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;chlorobenzene;piperazine is sourced from PubChem (CID 176529495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).