[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine

C8H7Cl2N5 — CID 82294024

IUPAC[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C8H7Cl2N5/c9-5-2-1-3-6(8(5)10)15-13-7(4-11)12-14-15/h1-3H,4,11H2
InChIKeyGDLJLGKXRROITH-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.43
Rot. Bonds2

About [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine

[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine (PubChem CID 82294024) has the molecular formula C8H7Cl2N5 and a molecular weight of 244.09 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
PubChem CID82294024
Molecular FormulaC8H7Cl2N5
Molecular Weight244.09 g/mol
Exact Mass243.01
IUPAC Name[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C8H7Cl2N5/c9-5-2-1-3-6(8(5)10)15-13-7(4-11)12-14-15/h1-3H,4,11H2
InChIKeyGDLJLGKXRROITH-UHFFFAOYSA-N
XLogP1.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 82300255
[2-(2-ethylphenyl)tetrazol-5-yl]methanamine
CID 82282627
[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482823
[1-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine
CID 62735905
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
2-[1-(2,3-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667867
[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83822954
[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847696
[3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-2-methylphenyl]methanamine
CID 141171435
1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 103084945
1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
CID 114419272
1-(2,3-dichlorophenyl)pyrazol-3-amine
CID 70210404

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine (CID 82294024) is [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine is NCc1nnn(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
The InChIKey is GDLJLGKXRROITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N5/c9-5-2-1-3-6(8(5)10)15-13-7(4-11)12-14-15/h1-3H,4,11H2.
What are the key properties of [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine?
[2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine has a molecular weight of 244.09 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 82294024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).