1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide

C16H23IN6O — CID 111984902

About 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide

1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide (PubChem CID 111984902) has the molecular formula C16H23IN6O and a molecular weight of 442.31 g/mol. Its IUPAC name is 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
• PubChem CID: 111984902
• Molecular Formula: C16H23IN6O
• Molecular Weight: 442.31 g/mol
• Exact Mass: 442.10
• IUPAC Name: 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccc(O)cc1)NC1CCc2ncnn2C1.I
• InChI: InChI=1S/C16H22N6O.HI/c1-2-17-16(18-9-12-3-6-14(23)7-4-12)21-13-5-8-15-19-11-20-22(15)10-13;/h3-4,6-7,11,13,23H,2,5,8-10H2,1H3,(H2,17,18,21);1H
• InChIKey: GQUCXKKDAMCLID-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 87.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.31
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide (CID 111984902) is 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide is CCN/C(=N\Cc1ccc(O)cc1)NC1CCc2ncnn2C1.I.

What is the InChIKey of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?

The InChIKey is GQUCXKKDAMCLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.HI/c1-2-17-16(18-9-12-3-6-14(23)7-4-12)21-13-5-8-15-19-11-20-22(15)10-13;/h3-4,6-7,11,13,23H,2,5,8-10H2,1H3,(H2,17,18,21);1H.

What are the key properties of 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide?

1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide has a molecular weight of 442.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide is sourced from PubChem (CID 111984902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).