N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline

C12H15N5O — CID 107234994

IUPACN-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCC1(CNc2cccc(-n3cnnn3)c2)COC1
InChIInChI=1S/C12H15N5O/c1-12(7-18-8-12)6-13-10-3-2-4-11(5-10)17-9-14-15-16-17/h2-5,9,13H,6-8H2,1H3
InChIKeyPXIMBIUTGJDILP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.11
Rot. Bonds4

About N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline

N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline (PubChem CID 107234994) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
PubChem CID107234994
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
SMILESCC1(CNc2cccc(-n3cnnn3)c2)COC1
InChIInChI=1S/C12H15N5O/c1-12(7-18-8-12)6-13-10-3-2-4-11(5-10)17-9-14-15-16-17/h2-5,9,13H,6-8H2,1H3
InChIKeyPXIMBIUTGJDILP-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methyloxetan-3-yl)methyl]-3-(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

Related Compounds

3-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 107235182
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 43683923
N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
2,2-dimethyl-5-[[3-(tetrazol-1-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168537702
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
N-(cyclohex-3-en-1-ylmethyl)-3-(tetrazol-1-yl)aniline
CID 43683913
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(tetrazol-1-yl)aniline
CID 43781128
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline (CID 107234994) is N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline is CC1(CNc2cccc(-n3cnnn3)c2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is PXIMBIUTGJDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-12(7-18-8-12)6-13-10-3-2-4-11(5-10)17-9-14-15-16-17/h2-5,9,13H,6-8H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline?
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 245.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 107234994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).