[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine

C15H15N3O — CID 105196376

IUPAC[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
SMILESCc1cccc2cc(C(NN)c3ccncc3)oc12
InChIInChI=1S/C15H15N3O/c1-10-3-2-4-12-9-13(19-15(10)12)14(18-16)11-5-7-17-8-6-11/h2-9,14,18H,16H2,1H3
InChIKeyJCMBHWPEYYKOGP-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.69
Rot. Bonds3

About [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine

[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine (PubChem CID 105196376) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
PubChem CID105196376
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
SMILESCc1cccc2cc(C(NN)c3ccncc3)oc12
InChIInChI=1S/C15H15N3O/c1-10-3-2-4-12-9-13(19-15(10)12)14(18-16)11-5-7-17-8-6-11/h2-9,14,18H,16H2,1H3
InChIKeyJCMBHWPEYYKOGP-UHFFFAOYSA-N
XLogP2.69
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine?
The IUPAC name of [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine (CID 105196376) is [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine?
The canonical SMILES for [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine is Cc1cccc2cc(C(NN)c3ccncc3)oc12.
What is the InChIKey of [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine?
The InChIKey is JCMBHWPEYYKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-3-2-4-12-9-13(19-15(10)12)14(18-16)11-5-7-17-8-6-11/h2-9,14,18H,16H2,1H3.
What are the key properties of [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine?
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine has a molecular weight of 253.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105196376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).