1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide

C14H22IN7 — CID 120603199

IUPAC1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1nnn(C)n1.I
InChIInChI=1S/C14H21N7.HI/c1-4-10-7-6-8-11(5-2)13(10)17-14(15)16-9-12-18-20-21(3)19-12;/h6-8H,4-5,9H2,1-3H3,(H3,15,16,17);1H
InChIKeyXUXOUEMMHNVPLE-UHFFFAOYSA-N
MW415.28 g/mol
LogP1.88
Rot. Bonds5

About 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide

1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide (PubChem CID 120603199) has the molecular formula C14H22IN7 and a molecular weight of 415.28 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
PubChem CID120603199
Molecular FormulaC14H22IN7
Molecular Weight415.28 g/mol
Exact Mass415.10
IUPAC Name1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1nnn(C)n1.I
InChIInChI=1S/C14H21N7.HI/c1-4-10-7-6-8-11(5-2)13(10)17-14(15)16-9-12-18-20-21(3)19-12;/h6-8H,4-5,9H2,1-3H3,(H3,15,16,17);1H
InChIKeyXUXOUEMMHNVPLE-UHFFFAOYSA-N
XLogP1.88
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide 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 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide (CID 120603199) is 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/Cc1nnn(C)n1.I.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide?
The InChIKey is XUXOUEMMHNVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7.HI/c1-4-10-7-6-8-11(5-2)13(10)17-14(15)16-9-12-18-20-21(3)19-12;/h6-8H,4-5,9H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide?
1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide has a molecular weight of 415.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 120603199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).