1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine

C12H16N6 — CID 65244795

IUPAC1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
SMILESCC(c1cccc(-n2cnnn2)c1)N1CC(N)C1
InChIInChI=1S/C12H16N6/c1-9(17-6-11(13)7-17)10-3-2-4-12(5-10)18-8-14-15-16-18/h2-5,8-9,11H,6-7,13H2,1H3
InChIKeyCZSNFWNEIOZSHC-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.37
Rot. Bonds3

About 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine

1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine (PubChem CID 65244795) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
PubChem CID65244795
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
SMILESCC(c1cccc(-n2cnnn2)c1)N1CC(N)C1
InChIInChI=1S/C12H16N6/c1-9(17-6-11(13)7-17)10-3-2-4-12(5-10)18-8-14-15-16-18/h2-5,8-9,11H,6-7,13H2,1H3
InChIKeyCZSNFWNEIOZSHC-UHFFFAOYSA-N
XLogP0.37
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine
CID 62536344
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066522
N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
CID 66657935
2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43194972
2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43825842
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one
CID 62093394
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210752
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine (CID 65244795) is 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine is CC(c1cccc(-n2cnnn2)c1)N1CC(N)C1.
What is the InChIKey of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine?
The InChIKey is CZSNFWNEIOZSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-9(17-6-11(13)7-17)10-3-2-4-12(5-10)18-8-14-15-16-18/h2-5,8-9,11H,6-7,13H2,1H3.
What are the key properties of 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine?
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine is sourced from PubChem (CID 65244795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).