1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine

C15H13Cl2N5O — CID 54583619

IUPAC1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine
SMILESCOc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13Cl2N5O/c1-23-11-5-2-4-10(8-11)9-18-15-19-20-21-22(15)13-7-3-6-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyLRYZFFQIBWKGEK-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine (PubChem CID 54583619) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine
PubChem CID54583619
Molecular FormulaC15H13Cl2N5O
Molecular Weight350.21 g/mol
Exact Mass349.05
IUPAC Name1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine
SMILESCOc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H13Cl2N5O/c1-23-11-5-2-4-10(8-11)9-18-15-19-20-21-22(15)13-7-3-6-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21)
InChIKeyLRYZFFQIBWKGEK-UHFFFAOYSA-N
XLogP3.59
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine (CID 54583619) is 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine is COc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine?
The InChIKey is LRYZFFQIBWKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c1-23-11-5-2-4-10(8-11)9-18-15-19-20-21-22(15)13-7-3-6-12(16)14(13)17/h2-8H,9H2,1H3,(H,18,19,21).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine has a molecular weight of 350.21 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 54583619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).