1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine

C8H8ClN5O — CID 107623543

IUPAC1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
SMILESCOc1cc(-n2nnnc2N)ccc1Cl
InChIInChI=1S/C8H8ClN5O/c1-15-7-4-5(2-3-6(7)9)14-8(10)11-12-13-14/h2-4H,1H3,(H2,10,11,13)
InChIKeyBRBZRDKTCOMNNJ-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.91
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine

1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine (PubChem CID 107623543) has the molecular formula C8H8ClN5O and a molecular weight of 225.64 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
PubChem CID107623543
Molecular FormulaC8H8ClN5O
Molecular Weight225.64 g/mol
Exact Mass225.04
IUPAC Name1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
SMILESCOc1cc(-n2nnnc2N)ccc1Cl
InChIInChI=1S/C8H8ClN5O/c1-15-7-4-5(2-3-6(7)9)14-8(10)11-12-13-14/h2-4H,1H3,(H2,10,11,13)
InChIKeyBRBZRDKTCOMNNJ-UHFFFAOYSA-N
XLogP0.91
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine (CID 107623543) is 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine is COc1cc(-n2nnnc2N)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine?
The InChIKey is BRBZRDKTCOMNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O/c1-15-7-4-5(2-3-6(7)9)14-8(10)11-12-13-14/h2-4H,1H3,(H2,10,11,13).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine?
1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine has a molecular weight of 225.64 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine is sourced from PubChem (CID 107623543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).