1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine

C10H12ClN5 — CID 82227906

IUPAC1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCc1c(Cl)cccc1-n1nnnc1C(C)N
InChIInChI=1S/C10H12ClN5/c1-6-8(11)4-3-5-9(6)16-10(7(2)12)13-14-15-16/h3-5,7H,12H2,1-2H3
InChIKeyOZUAPTSZWJWJAZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.64
Rot. Bonds2

About 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine

1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 82227906) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
PubChem CID82227906
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCc1c(Cl)cccc1-n1nnnc1C(C)N
InChIInChI=1S/C10H12ClN5/c1-6-8(11)4-3-5-9(6)16-10(7(2)12)13-14-15-16/h3-5,7H,12H2,1-2H3
InChIKeyOZUAPTSZWJWJAZ-UHFFFAOYSA-N
XLogP1.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine (CID 82227906) is 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine is Cc1c(Cl)cccc1-n1nnnc1C(C)N.
What is the InChIKey of 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is OZUAPTSZWJWJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-6-8(11)4-3-5-9(6)16-10(7(2)12)13-14-15-16/h3-5,7H,12H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine?
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 237.69 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82227906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).