[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine

C8H8ClN5 — CID 11321756

IUPAC[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C8H8ClN5/c9-7-1-2-8(6(3-7)4-10)14-5-11-12-13-14/h1-3,5H,4,10H2
InChIKeyXHZXLOQHCRDFPH-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.77
Rot. Bonds2

About [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine

[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine (PubChem CID 11321756) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
PubChem CID11321756
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C8H8ClN5/c9-7-1-2-8(6(3-7)4-10)14-5-11-12-13-14/h1-3,5H,4,10H2
InChIKeyXHZXLOQHCRDFPH-UHFFFAOYSA-N
XLogP0.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine (CID 11321756) is [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine is NCc1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine?
The InChIKey is XHZXLOQHCRDFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-7-1-2-8(6(3-7)4-10)14-5-11-12-13-14/h1-3,5H,4,10H2.
What are the key properties of [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine?
[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine has a molecular weight of 209.64 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(tetrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 11321756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).