1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine

C12H17N7 — CID 120603210

IUPAC1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N7/c1-3-9-4-6-10(7-5-9)15-12(13)14-8-11-16-18-19(2)17-11/h4-7H,3,8H2,1-2H3,(H3,13,14,15)
InChIKeyMNZGNZOXNLJZAZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.70
Rot. Bonds4

About 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine

1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine (PubChem CID 120603210) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
PubChem CID120603210
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N7/c1-3-9-4-6-10(7-5-9)15-12(13)14-8-11-16-18-19(2)17-11/h4-7H,3,8H2,1-2H3,(H3,13,14,15)
InChIKeyMNZGNZOXNLJZAZ-UHFFFAOYSA-N
XLogP0.70
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.70
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'}

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Related Compounds

1-(4-butan-2-ylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603191
1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603199
2-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 120913487
2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111816765
1-(4-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035326
1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
CID 120603258
2-[(4-cyanophenyl)methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111052316
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(4-ethylphenyl)guanidine
CID 119117949
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-(4-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045959
1-(4-ethylphenyl)-2-prop-2-enylguanidine;hydroiodide
CID 111023973
2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
CID 111089067

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine (CID 120603210) is 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine is CCc1ccc(N/C(N)=N/Cc2nnn(C)n2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
The InChIKey is MNZGNZOXNLJZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-3-9-4-6-10(7-5-9)15-12(13)14-8-11-16-18-19(2)17-11/h4-7H,3,8H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine?
1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine has a molecular weight of 259.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine is sourced from PubChem (CID 120603210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).