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

C15H20N4 — CID 106780222

IUPAC5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCn1ncnc1Cc1cccc2c1CCCN2
InChIInChI=1S/C15H20N4/c1-2-9-19-15(17-11-18-19)10-12-5-3-7-14-13(12)6-4-8-16-14/h3,5,7,11,16H,2,4,6,8-10H2,1H3
InChIKeyLSBZISBLYWPXGC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.64
Rot. Bonds4

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

5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106780222) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106780222
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCCn1ncnc1Cc1cccc2c1CCCN2
InChIInChI=1S/C15H20N4/c1-2-9-19-15(17-11-18-19)10-12-5-3-7-14-13(12)6-4-8-16-14/h3,5,7,11,16H,2,4,6,8-10H2,1H3
InChIKeyLSBZISBLYWPXGC-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780063
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780240
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780297
(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 112744174
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780078
5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62694495
5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224764
5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779847
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106780222) is 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCCn1ncnc1Cc1cccc2c1CCCN2.
What is the InChIKey of 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LSBZISBLYWPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-9-19-15(17-11-18-19)10-12-5-3-7-14-13(12)6-4-8-16-14/h3,5,7,11,16H,2,4,6,8-10H2,1H3.
What are the key properties of 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).