5-(3,4-dichlorophenyl)-1H-1,2,4-triazole

C8H5Cl2N3 — CID 58503677

IUPAC5-(3,4-dichlorophenyl)-1H-1,2,4-triazole
SMILESClc1ccc(-c2ncn[nH]2)cc1Cl
InChIInChI=1S/C8H5Cl2N3/c9-6-2-1-5(3-7(6)10)8-11-4-12-13-8/h1-4H,(H,11,12,13)
InChIKeySCEHNFAYDTWKCH-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.78
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole

5-(3,4-dichlorophenyl)-1H-1,2,4-triazole (PubChem CID 58503677) has the molecular formula C8H5Cl2N3 and a molecular weight of 214.06 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1H-1,2,4-triazole
PubChem CID58503677
Molecular FormulaC8H5Cl2N3
Molecular Weight214.06 g/mol
Exact Mass212.99
IUPAC Name5-(3,4-dichlorophenyl)-1H-1,2,4-triazole
SMILESClc1ccc(-c2ncn[nH]2)cc1Cl
InChIInChI=1S/C8H5Cl2N3/c9-6-2-1-5(3-7(6)10)8-11-4-12-13-8/h1-4H,(H,11,12,13)
InChIKeySCEHNFAYDTWKCH-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole (CID 58503677) is 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole is Clc1ccc(-c2ncn[nH]2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole?
The InChIKey is SCEHNFAYDTWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3/c9-6-2-1-5(3-7(6)10)8-11-4-12-13-8/h1-4H,(H,11,12,13).
What are the key properties of 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole?
5-(3,4-dichlorophenyl)-1H-1,2,4-triazole has a molecular weight of 214.06 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 58503677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).