N'-carbamimidoylbenzenecarboximidamide

C8H10N4 — CID 14045771

IUPACN'-carbamimidoylbenzenecarboximidamide
SMILES[H]/N=C(N)/N=C(\N)c1ccccc1
InChIInChI=1S/C8H10N4/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12)
InChIKeyIGHJTYXXPIOOIO-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.29
Rot. Bonds1

About N'-carbamimidoylbenzenecarboximidamide

N'-carbamimidoylbenzenecarboximidamide (PubChem CID 14045771) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is N'-carbamimidoylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-carbamimidoylbenzenecarboximidamide
PubChem CID14045771
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC NameN'-carbamimidoylbenzenecarboximidamide
SMILES[H]/N=C(N)/N=C(\N)c1ccccc1
InChIInChI=1S/C8H10N4/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12)
InChIKeyIGHJTYXXPIOOIO-UHFFFAOYSA-N
XLogP0.29
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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 N'-carbamimidoylbenzenecarboximidamide?
The IUPAC name of N'-carbamimidoylbenzenecarboximidamide (CID 14045771) is N'-carbamimidoylbenzenecarboximidamide.
What is the SMILES notation for N'-carbamimidoylbenzenecarboximidamide?
The canonical SMILES for N'-carbamimidoylbenzenecarboximidamide is [H]/N=C(N)/N=C(\N)c1ccccc1.
What is the InChIKey of N'-carbamimidoylbenzenecarboximidamide?
The InChIKey is IGHJTYXXPIOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-7(12-8(10)11)6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12).
What are the key properties of N'-carbamimidoylbenzenecarboximidamide?
N'-carbamimidoylbenzenecarboximidamide has a molecular weight of 162.20 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylbenzenecarboximidamide is sourced from PubChem (CID 14045771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).