5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole

C14H14Cl2N6 — CID 136556765

IUPAC5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
SMILESCCCn1ncnc1Cn1nc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C14H14Cl2N6/c1-2-7-21-12(17-9-18-21)8-22-14(16)19-13(20-22)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyFDIQONKJZCHZPP-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.30
Rot. Bonds5

About 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole

5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole (PubChem CID 136556765) has the molecular formula C14H14Cl2N6 and a molecular weight of 337.21 g/mol. Its IUPAC name is 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
PubChem CID136556765
Molecular FormulaC14H14Cl2N6
Molecular Weight337.21 g/mol
Exact Mass336.07
IUPAC Name5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole
SMILESCCCn1ncnc1Cn1nc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C14H14Cl2N6/c1-2-7-21-12(17-9-18-21)8-22-14(16)19-13(20-22)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyFDIQONKJZCHZPP-UHFFFAOYSA-N
XLogP3.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole (CID 136556765) is 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole is CCCn1ncnc1Cn1nc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
The InChIKey is FDIQONKJZCHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6/c1-2-7-21-12(17-9-18-21)8-22-14(16)19-13(20-22)10-3-5-11(15)6-4-10/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole?
5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole has a molecular weight of 337.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chlorophenyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 136556765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).