5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one

C19H20N6O3 — CID 139388317

IUPAC5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one
SMILESCc1nnn(-c2ccc(CNCC(O)c3ccc4c(c3C)COC4=O)cn2)n1
InChIInChI=1S/C19H20N6O3/c1-11-14(4-5-15-16(11)10-28-19(15)27)17(26)9-20-7-13-3-6-18(21-8-13)25-23-12(2)22-24-25/h3-6,8,17,20,26H,7,9-10H2,1-2H3
InChIKeyMKDGTRDAHIXPCA-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.17
Rot. Bonds6

About 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one

5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one (PubChem CID 139388317) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one
PubChem CID139388317
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one
SMILESCc1nnn(-c2ccc(CNCC(O)c3ccc4c(c3C)COC4=O)cn2)n1
InChIInChI=1S/C19H20N6O3/c1-11-14(4-5-15-16(11)10-28-19(15)27)17(26)9-20-7-13-3-6-18(21-8-13)25-23-12(2)22-24-25/h3-6,8,17,20,26H,7,9-10H2,1-2H3
InChIKeyMKDGTRDAHIXPCA-UHFFFAOYSA-N
XLogP1.17
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one (CID 139388317) is 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one is Cc1nnn(-c2ccc(CNCC(O)c3ccc4c(c3C)COC4=O)cn2)n1.
What is the InChIKey of 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?
The InChIKey is MKDGTRDAHIXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-11-14(4-5-15-16(11)10-28-19(15)27)17(26)9-20-7-13-3-6-18(21-8-13)25-23-12(2)22-24-25/h3-6,8,17,20,26H,7,9-10H2,1-2H3.
What are the key properties of 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one?
5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one has a molecular weight of 380.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[[6-(5-methyltetrazol-2-yl)-3-pyridinyl]methylamino]ethyl]-4-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 139388317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).