N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine

C14H12ClN5O — CID 162652698

IUPACN-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
SMILESCOc1ccc(-n2nnnc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN5O/c1-21-13-7-5-12(6-8-13)20-14(17-18-19-20)16-11-4-2-3-10(15)9-11/h2-9H,1H3,(H,16,17,19)
InChIKeyWAJSGHOTUDGALQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP3.07
Rot. Bonds4

About N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine

N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine (PubChem CID 162652698) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
PubChem CID162652698
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine
SMILESCOc1ccc(-n2nnnc2Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN5O/c1-21-13-7-5-12(6-8-13)20-14(17-18-19-20)16-11-4-2-3-10(15)9-11/h2-9H,1H3,(H,16,17,19)
InChIKeyWAJSGHOTUDGALQ-UHFFFAOYSA-N
XLogP3.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
The IUPAC name of N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine (CID 162652698) is N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine is COc1ccc(-n2nnnc2Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
The InChIKey is WAJSGHOTUDGALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-21-13-7-5-12(6-8-13)20-14(17-18-19-20)16-11-4-2-3-10(15)9-11/h2-9H,1H3,(H,16,17,19).
What are the key properties of N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine?
N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine has a molecular weight of 301.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(4-methoxyphenyl)tetrazol-5-amine is sourced from PubChem (CID 162652698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).