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

C15H20N4 — CID 55111278

IUPAC5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCc1nc(-c2cccc3c2CCCN3)n(C)n1
InChIInChI=1S/C15H20N4/c1-3-6-14-17-15(19(2)18-14)12-7-4-9-13-11(12)8-5-10-16-13/h4,7,9,16H,3,5-6,8,10H2,1-2H3
InChIKeyDAPWWVQJRQXYNU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.79
Rot. Bonds3

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

5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 55111278) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID55111278
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCc1nc(-c2cccc3c2CCCN3)n(C)n1
InChIInChI=1S/C15H20N4/c1-3-6-14-17-15(19(2)18-14)12-7-4-9-13-11(12)8-5-10-16-13/h4,7,9,16H,3,5-6,8,10H2,1-2H3
InChIKeyDAPWWVQJRQXYNU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62694495
5-(3-ethylimidazo[4,5-b]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 63757641
5-(1,2,3,4-tetrahydroquinolin-5-yl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 79953382
5-(4-phenyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62711092
3-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2,4-oxadiazole
CID 61412494
4-methyl-3-(2-methyl-5-propyl-1,2,4-triazol-3-yl)aniline
CID 63653874
2-(2-methyl-5-propyl-1,2,4-triazol-3-yl)benzoic acid
CID 55111470
5-(3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224139
2-(1,2,3,4-tetrahydroquinolin-5-yl)phenol
CID 69017976
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780222
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338
5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82693965

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 55111278) is 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is CCCc1nc(-c2cccc3c2CCCN3)n(C)n1.
What is the InChIKey of 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DAPWWVQJRQXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-6-14-17-15(19(2)18-14)12-7-4-9-13-11(12)8-5-10-16-13/h4,7,9,16H,3,5-6,8,10H2,1-2H3.
What are the key properties of 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 55111278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).