5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine

C13H18N6O — CID 62087555

IUPAC5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESCOC1CCCC1n1nnnc1-c1cc(N)cc(N)c1
InChIInChI=1S/C13H18N6O/c1-20-12-4-2-3-11(12)19-13(16-17-18-19)8-5-9(14)7-10(15)6-8/h5-7,11-12H,2-4,14-15H2,1H3
InChIKeyHFZNLYSUXGFFOY-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.24
Rot. Bonds3

About 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine

5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 62087555) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine
PubChem CID62087555
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESCOC1CCCC1n1nnnc1-c1cc(N)cc(N)c1
InChIInChI=1S/C13H18N6O/c1-20-12-4-2-3-11(12)19-13(16-17-18-19)8-5-9(14)7-10(15)6-8/h5-7,11-12H,2-4,14-15H2,1H3
InChIKeyHFZNLYSUXGFFOY-UHFFFAOYSA-N
XLogP1.24
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine (CID 62087555) is 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine is COC1CCCC1n1nnnc1-c1cc(N)cc(N)c1.
What is the InChIKey of 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is HFZNLYSUXGFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-20-12-4-2-3-11(12)19-13(16-17-18-19)8-5-9(14)7-10(15)6-8/h5-7,11-12H,2-4,14-15H2,1H3.
What are the key properties of 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine?
5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxycyclopentyl)tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 62087555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).