N',2-diaminobenzenecarboximidamide

C7H10N4 — CID 10307874

IUPACN',2-diaminobenzenecarboximidamide
SMILESN/N=C(/N)c1ccccc1N
InChIInChI=1S/C7H10N4/c8-6-4-2-1-3-5(6)7(9)11-10/h1-4H,8,10H2,(H2,9,11)
InChIKeyFMDCTRXTGDRGGP-UHFFFAOYSA-N
MW150.18 g/mol
LogP-0.15
Rot. Bonds1

About N',2-diaminobenzenecarboximidamide

N',2-diaminobenzenecarboximidamide (PubChem CID 10307874) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N',2-diaminobenzenecarboximidamide.

Molecular Properties

Compound NameN',2-diaminobenzenecarboximidamide
PubChem CID10307874
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN',2-diaminobenzenecarboximidamide
SMILESN/N=C(/N)c1ccccc1N
InChIInChI=1S/C7H10N4/c8-6-4-2-1-3-5(6)7(9)11-10/h1-4H,8,10H2,(H2,9,11)
InChIKeyFMDCTRXTGDRGGP-UHFFFAOYSA-N
XLogP-0.15
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
N'-amino-2-cyanobenzenecarboximidamide
CID 66986698
N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-aminobenzenecarbothioamide;hydrochloride
CID 172866295
N'-aminobenzenecarboximidamide
CID 5474957
2-aminobenzoic acid;urea
CID 158027537
N'-amino-2-(methoxymethyl)benzenecarboximidamide
CID 77073813
2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline
CID 172940611
benzene-1,2-diamine;zinc
CID 70562194
2-amino-N'-(2,5-dimethylphenyl)benzenecarboximidamide
CID 101481145
2-amino-N'-(2,4-dimethylphenyl)benzenecarboximidamide
CID 15889680

Frequently Asked Questions

What is the IUPAC name of N',2-diaminobenzenecarboximidamide?
The IUPAC name of N',2-diaminobenzenecarboximidamide (CID 10307874) is N',2-diaminobenzenecarboximidamide.
What is the SMILES notation for N',2-diaminobenzenecarboximidamide?
The canonical SMILES for N',2-diaminobenzenecarboximidamide is N/N=C(/N)c1ccccc1N.
What is the InChIKey of N',2-diaminobenzenecarboximidamide?
The InChIKey is FMDCTRXTGDRGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c8-6-4-2-1-3-5(6)7(9)11-10/h1-4H,8,10H2,(H2,9,11).
What are the key properties of N',2-diaminobenzenecarboximidamide?
N',2-diaminobenzenecarboximidamide has a molecular weight of 150.18 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diaminobenzenecarboximidamide is sourced from PubChem (CID 10307874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).