4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide

C11H12N6O — CID 175107747

IUPAC4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC=C)c(-n2cnnn2)c1
InChIInChI=1S/C11H12N6O/c1-2-5-18-10-4-3-8(11(12)13)6-9(10)17-7-14-15-16-17/h2-4,6-7H,1,5H2,(H3,12,13)
InChIKeyLPAQRKHJCCGUOM-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.51
Rot. Bonds5

About 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide

4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide (PubChem CID 175107747) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide
PubChem CID175107747
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC=C)c(-n2cnnn2)c1
InChIInChI=1S/C11H12N6O/c1-2-5-18-10-4-3-8(11(12)13)6-9(10)17-7-14-15-16-17/h2-4,6-7H,1,5H2,(H3,12,13)
InChIKeyLPAQRKHJCCGUOM-UHFFFAOYSA-N
XLogP0.51
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylmethoxy)-3-(tetrazol-1-yl)benzenecarboximidamide;hydrochloride
CID 175112043
4-(cyclohexylmethoxy)-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663753
4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663788
2-[3,4-bis(prop-2-enoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid;hydrochloride
CID 68652501
4-prop-2-enylbenzenecarboximidamide
CID 67813760
1-[4-tert-butyl-2-(tetrazol-1-yl)phenoxy]propan-2-ol
CID 121300521
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 106705056
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
N-(2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75519212
(1Z)-2-amino-2-imino-N-[3-methoxy-4-(tetrazol-1-yl)anilino]ethanimidoyl cyanide
CID 172978506
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide (CID 175107747) is 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC=C)c(-n2cnnn2)c1.
What is the InChIKey of 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide?
The InChIKey is LPAQRKHJCCGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-2-5-18-10-4-3-8(11(12)13)6-9(10)17-7-14-15-16-17/h2-4,6-7H,1,5H2,(H3,12,13).
What are the key properties of 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide?
4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide has a molecular weight of 244.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-3-(tetrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 175107747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).