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

C13H13N5O — CID 114387729

IUPACN-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1nccnn1)c1cccc2c1CCNC2
InChIInChI=1S/C13H13N5O/c19-12(17-13-15-6-7-16-18-13)11-3-1-2-9-8-14-5-4-10(9)11/h1-3,6-7,14H,4-5,8H2,(H,15,17,18,19)
InChIKeyHGBXYWVGJROXDK-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.77
Rot. Bonds2

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

N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 114387729) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID114387729
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1nccnn1)c1cccc2c1CCNC2
InChIInChI=1S/C13H13N5O/c19-12(17-13-15-6-7-16-18-13)11-3-1-2-9-8-14-5-4-10(9)11/h1-3,6-7,14H,4-5,8H2,(H,15,17,18,19)
InChIKeyHGBXYWVGJROXDK-UHFFFAOYSA-N
XLogP0.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389471
N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167745801
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557993
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935
2-hydroxy-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114388216
2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 114387729) is N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(Nc1nccnn1)c1cccc2c1CCNC2.
What is the InChIKey of N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is HGBXYWVGJROXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-12(17-13-15-6-7-16-18-13)11-3-1-2-9-8-14-5-4-10(9)11/h1-3,6-7,14H,4-5,8H2,(H,15,17,18,19).
What are the key properties of N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 114387729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).