N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline

C12H15N5O — CID 104869027

IUPACN-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline
SMILESCOC1CC(Nc2ccccc2-n2cnnn2)C1
InChIInChI=1S/C12H15N5O/c1-18-10-6-9(7-10)14-11-4-2-3-5-12(11)17-8-13-15-16-17/h2-5,8-10,14H,6-7H2,1H3
InChIKeyJCGVAHMOXOCLJI-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds4

About N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline

N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline (PubChem CID 104869027) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline
PubChem CID104869027
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline
SMILESCOC1CC(Nc2ccccc2-n2cnnn2)C1
InChIInChI=1S/C12H15N5O/c1-18-10-6-9(7-10)14-11-4-2-3-5-12(11)17-8-13-15-16-17/h2-5,8-10,14H,6-7H2,1H3
InChIKeyJCGVAHMOXOCLJI-UHFFFAOYSA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline 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 N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline (CID 104869027) is N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline is COC1CC(Nc2ccccc2-n2cnnn2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline?
The InChIKey is JCGVAHMOXOCLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-10-6-9(7-10)14-11-4-2-3-5-12(11)17-8-13-15-16-17/h2-5,8-10,14H,6-7H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline?
N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline has a molecular weight of 245.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 104869027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).