7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide

C17H14N6O2 — CID 119061671

IUPAC7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3nc(-c4cnccn4)n[nH]3)oc12
InChIInChI=1S/C17H14N6O2/c1-10-3-2-4-11-7-13(25-15(10)11)17(24)20-9-14-21-16(23-22-14)12-8-18-5-6-19-12/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXHZGROLMWFIORN-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.25
Rot. Bonds4

About 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide

7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 119061671) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID119061671
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc2cc(C(=O)NCc3nc(-c4cnccn4)n[nH]3)oc12
InChIInChI=1S/C17H14N6O2/c1-10-3-2-4-11-7-13(25-15(10)11)17(24)20-9-14-21-16(23-22-14)12-8-18-5-6-19-12/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXHZGROLMWFIORN-UHFFFAOYSA-N
XLogP2.25
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 142499849
2-(4-{2-[4-(5-Carbamimidoyl-benzofuran-2-carbonyl)-piperazin-1-yl]-2-oxo-ethoxy}-phenoxy)-N-[4-(1H-imidazol-4-yl)-phenyl]-acetamide
CID 44339859
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 49865150
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 49865207
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
CID 92042841
3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24790661
N-[2-(1-methylimidazol-4-yl)ethyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636726
N-((1-Methyl-1H-imidazol-4-yl)methyl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 59636775
5-(4-acetylphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
CID 17505852
3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 164627970
N-ethyl-5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxamide
CID 49852563
N-[3-(2-imidazo[1,2-b]pyridazin-6-ylethynyl)phenyl]-1-benzofuran-2-carboxamide
CID 118638445

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide (CID 119061671) is 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide is Cc1cccc2cc(C(=O)NCc3nc(-c4cnccn4)n[nH]3)oc12.
What is the InChIKey of 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XHZGROLMWFIORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10-3-2-4-11-7-13(25-15(10)11)17(24)20-9-14-21-16(23-22-14)12-8-18-5-6-19-12/h2-8H,9H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide?
7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119061671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).