N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine

C14H15N3O — CID 61311188

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
SMILESCc1ccc(NCC2Cc3ccccc3O2)nn1
InChIInChI=1S/C14H15N3O/c1-10-6-7-14(17-16-10)15-9-12-8-11-4-2-3-5-13(11)18-12/h2-7,12H,8-9H2,1H3,(H,15,17)
InChIKeyZXTLOQNGTJXSTM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.20
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine (PubChem CID 61311188) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
PubChem CID61311188
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
SMILESCc1ccc(NCC2Cc3ccccc3O2)nn1
InChIInChI=1S/C14H15N3O/c1-10-6-7-14(17-16-10)15-9-12-8-11-4-2-3-5-13(11)18-12/h2-7,12H,8-9H2,1H3,(H,15,17)
InChIKeyZXTLOQNGTJXSTM-UHFFFAOYSA-N
XLogP2.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine (CID 61311188) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine is Cc1ccc(NCC2Cc3ccccc3O2)nn1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine?
The InChIKey is ZXTLOQNGTJXSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-6-7-14(17-16-10)15-9-12-8-11-4-2-3-5-13(11)18-12/h2-7,12H,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine has a molecular weight of 241.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine is sourced from PubChem (CID 61311188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).