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

C14H15ClN6 — CID 118870145

IUPAC1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole
SMILESCCCc1ncnn1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C14H15ClN6/c1-2-3-14-16-10-17-21(14)9-12-8-20(19-18-12)13-6-4-11(15)5-7-13/h4-8,10H,2-3,9H2,1H3
InChIKeyIWNKFQATMQELSV-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.51
Rot. Bonds5

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

1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole (PubChem CID 118870145) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole
PubChem CID118870145
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole
SMILESCCCc1ncnn1Cc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C14H15ClN6/c1-2-3-14-16-10-17-21(14)9-12-8-20(19-18-12)13-6-4-11(15)5-7-13/h4-8,10H,2-3,9H2,1H3
InChIKeyIWNKFQATMQELSV-UHFFFAOYSA-N
XLogP2.51
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole?
The IUPAC name of 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole (CID 118870145) is 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole is CCCc1ncnn1Cc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole?
The InChIKey is IWNKFQATMQELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-2-3-14-16-10-17-21(14)9-12-8-20(19-18-12)13-6-4-11(15)5-7-13/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole?
1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole has a molecular weight of 302.77 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(5-propyl-1,2,4-triazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).