5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

C14H18N4 — CID 62694495

IUPAC5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1cnnc1-c1cccc2c1CCCN2
InChIInChI=1S/C14H18N4/c1-2-9-18-10-16-17-14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,10,15H,2,4,6,8-9H2,1H3
InChIKeyFXKQFZZRQGXPMY-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.71
Rot. Bonds3

About 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 62694495) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID62694495
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1cnnc1-c1cccc2c1CCCN2
InChIInChI=1S/C14H18N4/c1-2-9-18-10-16-17-14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,10,15H,2,4,6,8-9H2,1H3
InChIKeyFXKQFZZRQGXPMY-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 62694495) is 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is CCCn1cnnc1-c1cccc2c1CCCN2.
What is the InChIKey of 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FXKQFZZRQGXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-9-18-10-16-17-14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,10,15H,2,4,6,8-9H2,1H3.
What are the key properties of 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 242.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62694495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).