N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine

C12H16ClN5O — CID 4725740

IUPACN-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCOc1ccc(Cl)cc1CNc1nnnn1CC
InChIInChI=1S/C12H16ClN5O/c1-3-18-12(15-16-17-18)14-8-9-7-10(13)5-6-11(9)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15,17)
InChIKeySDRBISVFYBFOTC-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.36
Rot. Bonds6

About N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine

N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine (PubChem CID 4725740) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
PubChem CID4725740
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC NameN-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCOc1ccc(Cl)cc1CNc1nnnn1CC
InChIInChI=1S/C12H16ClN5O/c1-3-18-12(15-16-17-18)14-8-9-7-10(13)5-6-11(9)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15,17)
InChIKeySDRBISVFYBFOTC-UHFFFAOYSA-N
XLogP2.36
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine (CID 4725740) is N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine is CCOc1ccc(Cl)cc1CNc1nnnn1CC.
What is the InChIKey of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The InChIKey is SDRBISVFYBFOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-18-12(15-16-17-18)14-8-9-7-10(13)5-6-11(9)19-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15,17).
What are the key properties of N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine has a molecular weight of 281.75 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethoxyphenyl)methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 4725740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).