N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C15H17N5O — CID 114387472

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(c2)CNCC3)nc1C
InChIInChI=1S/C15H17N5O/c1-9-10(2)19-20-15(17-9)18-14(21)12-4-3-11-5-6-16-8-13(11)7-12/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,18,20,21)
InChIKeyNDEIEOQKFSJGOB-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.39
Rot. Bonds2

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 114387472) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID114387472
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(c2)CNCC3)nc1C
InChIInChI=1S/C15H17N5O/c1-9-10(2)19-20-15(17-9)18-14(21)12-4-3-11-5-6-16-8-13(11)7-12/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,18,20,21)
InChIKeyNDEIEOQKFSJGOB-UHFFFAOYSA-N
XLogP1.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712841
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-fluorobenzamide
CID 114386611
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(ethylamino)-3-methylbenzamide
CID 114389344
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66898299
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333
N-[1-(iodomethyl)-5-methylpyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 143697896
2-(3,5-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609213
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 114387472) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is Cc1nnc(NC(=O)c2ccc3c(c2)CNCC3)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is NDEIEOQKFSJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-10(2)19-20-15(17-9)18-14(21)12-4-3-11-5-6-16-8-13(11)7-12/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,18,20,21).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 114387472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).