1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine

C10H18N10 — CID 176518410

IUPAC1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C8H11N5.C2H7N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;3-1(4)7-2(5)6/h1-5H,(H6,9,10,11,12,13);(H7,3,4,5,6,7)
InChIKeyIEHMEKRIEHTYRZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.73
Rot. Bonds1

About 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine

1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine (PubChem CID 176518410) has the molecular formula C10H18N10 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine.

Molecular Properties

Compound Name1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine
PubChem CID176518410
Molecular FormulaC10H18N10
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C8H11N5.C2H7N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;3-1(4)7-2(5)6/h1-5H,(H6,9,10,11,12,13);(H7,3,4,5,6,7)
InChIKeyIEHMEKRIEHTYRZ-UHFFFAOYSA-N
XLogP-1.73
TPSA214.55 Ų
H-Bond Donors8
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.73
H-Bond Donors ≤ 58
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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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine?
The IUPAC name of 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine (CID 176518410) is 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine.
What is the SMILES notation for 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine?
The canonical SMILES for 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine is NC(N)=N/C(N)=N/c1ccccc1.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine?
The InChIKey is IEHMEKRIEHTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.C2H7N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;3-1(4)7-2(5)6/h1-5H,(H6,9,10,11,12,13);(H7,3,4,5,6,7).
What are the key properties of 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine?
1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine has a molecular weight of 278.32 g/mol, XLogP of -1.73, 1 rotatable bonds, 8 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine is sourced from PubChem (CID 176518410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).