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

C15H20N4 — CID 106903170

IUPAC3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1c(C)nnc1C1CNc2ccccc2C1
InChIInChI=1S/C15H20N4/c1-3-8-19-11(2)17-18-15(19)13-9-12-6-4-5-7-14(12)16-10-13/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyXFLGNJJRABNFIZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds3

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

3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106903170) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106903170
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1c(C)nnc1C1CNc2ccccc2C1
InChIInChI=1S/C15H20N4/c1-3-8-19-11(2)17-18-15(19)13-9-12-6-4-5-7-14(12)16-10-13/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyXFLGNJJRABNFIZ-UHFFFAOYSA-N
XLogP2.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 106903170) is 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is CCCn1c(C)nnc1C1CNc2ccccc2C1.
What is the InChIKey of 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is XFLGNJJRABNFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-8-19-11(2)17-18-15(19)13-9-12-6-4-5-7-14(12)16-10-13/h4-7,13,16H,3,8-10H2,1-2H3.
What are the key properties of 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106903170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).