N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide

C20H16N6O2 — CID 142958113

IUPACN-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide
SMILES[H]/N=C(\c1cccc(NC(=O)c2ccco2)c1)c1cc(-c2ncn[nH]2)ccc1N
InChIInChI=1S/C20H16N6O2/c21-16-7-6-13(19-23-11-24-26-19)10-15(16)18(22)12-3-1-4-14(9-12)25-20(27)17-5-2-8-28-17/h1-11,22H,21H2,(H,25,27)(H,23,24,26)/b22-18+
InChIKeyLWNSREYMMQSGRZ-RELWKKBWSA-N
MW372.39 g/mol
LogP3.32
Rot. Bonds5

About N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide

N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide (PubChem CID 142958113) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide
PubChem CID142958113
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide
SMILES[H]/N=C(\c1cccc(NC(=O)c2ccco2)c1)c1cc(-c2ncn[nH]2)ccc1N
InChIInChI=1S/C20H16N6O2/c21-16-7-6-13(19-23-11-24-26-19)10-15(16)18(22)12-3-1-4-14(9-12)25-20(27)17-5-2-8-28-17/h1-11,22H,21H2,(H,25,27)(H,23,24,26)/b22-18+
InChIKeyLWNSREYMMQSGRZ-RELWKKBWSA-N
XLogP3.32
TPSA133.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]-2-(dimethylamino)acetamide
CID 142958108
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
N-[3-(1H-pyrazol-5-yl)phenyl]furan-2-carboxamide
CID 37044226
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 47057844
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 1300314
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-carbonylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 24620605
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136512861
N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide (CID 142958113) is N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide is [H]/N=C(\c1cccc(NC(=O)c2ccco2)c1)c1cc(-c2ncn[nH]2)ccc1N.
What is the InChIKey of N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide?
The InChIKey is LWNSREYMMQSGRZ-RELWKKBWSA-N. The full InChI is InChI=1S/C20H16N6O2/c21-16-7-6-13(19-23-11-24-26-19)10-15(16)18(22)12-3-1-4-14(9-12)25-20(27)17-5-2-8-28-17/h1-11,22H,21H2,(H,25,27)(H,23,24,26)/b22-18+.
What are the key properties of N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide?
N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(1H-1,2,4-triazol-5-yl)benzenecarboximidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 142958113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).