N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine

C10H12ClN5O — CID 4725453

IUPACN-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1ccc(Cl)cc1CNc1nn[nH]n1
InChIInChI=1S/C10H12ClN5O/c1-2-17-9-4-3-8(11)5-7(9)6-12-10-13-15-16-14-10/h3-5H,2,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyIXXWAUJWOLWSLE-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.86
Rot. Bonds5

About N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4725453) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4725453
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC NameN-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1ccc(Cl)cc1CNc1nn[nH]n1
InChIInChI=1S/C10H12ClN5O/c1-2-17-9-4-3-8(11)5-7(9)6-12-10-13-15-16-14-10/h3-5H,2,6H2,1H3,(H2,12,13,14,15,16)
InChIKeyIXXWAUJWOLWSLE-UHFFFAOYSA-N
XLogP1.86
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 4725453) is N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine is CCOc1ccc(Cl)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is IXXWAUJWOLWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-2-17-9-4-3-8(11)5-7(9)6-12-10-13-15-16-14-10/h3-5H,2,6H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 253.69 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).