5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide

C14H17N5O — CID 114490800

IUPAC5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2cccc3c2CNCC3)n[nH]1
InChIInChI=1S/C14H17N5O/c1-2-12-17-13(19-18-12)14(20)16-11-5-3-4-9-6-7-15-8-10(9)11/h3-5,15H,2,6-8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyHNQPNEOWONSODR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.27
Rot. Bonds3

About 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide

5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114490800) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID114490800
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2cccc3c2CNCC3)n[nH]1
InChIInChI=1S/C14H17N5O/c1-2-12-17-13(19-18-12)14(20)16-11-5-3-4-9-6-7-15-8-10(9)11/h3-5,15H,2,6-8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyHNQPNEOWONSODR-UHFFFAOYSA-N
XLogP1.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
N-(3-bromo-2-methylphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 107629541
5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide
CID 80547841
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 112602533
3-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447474
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
CID 114491058
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
1-(2-chlorophenyl)-5-propan-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1,2,4-triazole-3-carboxamide
CID 167928976

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide (CID 114490800) is 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2cccc3c2CNCC3)n[nH]1.
What is the InChIKey of 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is HNQPNEOWONSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-12-17-13(19-18-12)14(20)16-11-5-3-4-9-6-7-15-8-10(9)11/h3-5,15H,2,6-8H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114490800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).