(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C14H16N4O — CID 112744174

IUPAC(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCCn1ncnc1C(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H16N4O/c1-2-18-14(16-9-17-18)13(19)11-5-3-7-12-10(11)6-4-8-15-12/h3,5,7,9,15H,2,4,6,8H2,1H3
InChIKeyYHPQWLSSNQNLBH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds3

About (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 112744174) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID112744174
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCCn1ncnc1C(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H16N4O/c1-2-18-14(16-9-17-18)13(19)11-5-3-7-12-10(11)6-4-8-15-12/h3,5,7,9,15H,2,4,6,8H2,1H3
InChIKeyYHPQWLSSNQNLBH-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780222
propyl 1,2,3,4-tetrahydroquinoline-5-carboxylate
CID 60834864
N-methyl-N-propyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62848998
N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107463094
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
cyclopropyl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 116610491

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 112744174) is (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is CCn1ncnc1C(=O)c1cccc2c1CCCN2.
What is the InChIKey of (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is YHPQWLSSNQNLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-18-14(16-9-17-18)13(19)11-5-3-7-12-10(11)6-4-8-15-12/h3,5,7,9,15H,2,4,6,8H2,1H3.
What are the key properties of (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 112744174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).