1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine

C10H13N5 — CID 43829237

IUPAC1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
SMILESCc1nnnn1-c1cccc(C(C)N)c1
InChIInChI=1S/C10H13N5/c1-7(11)9-4-3-5-10(6-9)15-8(2)12-13-14-15/h3-7H,11H2,1-2H3
InChIKeyULPUZUCXKYWPME-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.99
Rot. Bonds2

About 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine

1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine (PubChem CID 43829237) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
PubChem CID43829237
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine
SMILESCc1nnnn1-c1cccc(C(C)N)c1
InChIInChI=1S/C10H13N5/c1-7(11)9-4-3-5-10(6-9)15-8(2)12-13-14-15/h3-7H,11H2,1-2H3
InChIKeyULPUZUCXKYWPME-UHFFFAOYSA-N
XLogP0.99
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine (CID 43829237) is 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine is Cc1nnnn1-c1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine?
The InChIKey is ULPUZUCXKYWPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7(11)9-4-3-5-10(6-9)15-8(2)12-13-14-15/h3-7H,11H2,1-2H3.
What are the key properties of 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine?
1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyltetrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43829237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).