5-chloro-1,4-dipropyltriazole

C8H14ClN3 — CID 69384008

IUPAC5-chloro-1,4-dipropyltriazole
SMILESCCCc1nnn(CCC)c1Cl
InChIInChI=1S/C8H14ClN3/c1-3-5-7-8(9)12(6-4-2)11-10-7/h3-6H2,1-2H3
InChIKeyUAEJUAGEKRDXQP-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.29
Rot. Bonds4

About 5-chloro-1,4-dipropyltriazole

5-chloro-1,4-dipropyltriazole (PubChem CID 69384008) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 5-chloro-1,4-dipropyltriazole.

Molecular Properties

Compound Name5-chloro-1,4-dipropyltriazole
PubChem CID69384008
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name5-chloro-1,4-dipropyltriazole
SMILESCCCc1nnn(CCC)c1Cl
InChIInChI=1S/C8H14ClN3/c1-3-5-7-8(9)12(6-4-2)11-10-7/h3-6H2,1-2H3
InChIKeyUAEJUAGEKRDXQP-UHFFFAOYSA-N
XLogP2.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dipropyltriazole?
The IUPAC name of 5-chloro-1,4-dipropyltriazole (CID 69384008) is 5-chloro-1,4-dipropyltriazole.
What is the SMILES notation for 5-chloro-1,4-dipropyltriazole?
The canonical SMILES for 5-chloro-1,4-dipropyltriazole is CCCc1nnn(CCC)c1Cl.
What is the InChIKey of 5-chloro-1,4-dipropyltriazole?
The InChIKey is UAEJUAGEKRDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-3-5-7-8(9)12(6-4-2)11-10-7/h3-6H2,1-2H3.
What are the key properties of 5-chloro-1,4-dipropyltriazole?
5-chloro-1,4-dipropyltriazole has a molecular weight of 187.67 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-dipropyltriazole is sourced from PubChem (CID 69384008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).