N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine

C12H15N5O — CID 43683923

IUPACN-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
SMILESc1cc(NC2CCOCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-2-11(14-10-4-6-18-7-5-10)8-12(3-1)17-9-13-15-16-17/h1-3,8-10,14H,4-7H2
InChIKeyRNMNTVOXNKAFEO-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds3

About N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine

N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine (PubChem CID 43683923) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
PubChem CID43683923
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
SMILESc1cc(NC2CCOCC2)cc(-n2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-2-11(14-10-4-6-18-7-5-10)8-12(3-1)17-9-13-15-16-17/h1-3,8-10,14H,4-7H2
InChIKeyRNMNTVOXNKAFEO-UHFFFAOYSA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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

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Related Compounds

8-methyl-N-[3-(tetrazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43683977
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
N-[3-(tetrazol-1-yl)phenyl]thian-3-amine
CID 55129735
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine
CID 141355908
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
N-(3-bromophenyl)oxan-4-amine
CID 43608425
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine (CID 43683923) is N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine is c1cc(NC2CCOCC2)cc(-n2cnnn2)c1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine?
The InChIKey is RNMNTVOXNKAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-11(14-10-4-6-18-7-5-10)8-12(3-1)17-9-13-15-16-17/h1-3,8-10,14H,4-7H2.
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine?
N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine is sourced from PubChem (CID 43683923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).