N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

C15H15N5OS — CID 169117953

IUPACN-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCNc1ccccc1NC(=O)c1ccc2cnc(SC)nn12
InChIInChI=1S/C15H15N5OS/c1-16-11-5-3-4-6-12(11)18-14(21)13-8-7-10-9-17-15(22-2)19-20(10)13/h3-9,16H,1-2H3,(H,18,21)
InChIKeyPVZVBWDXGQBYRI-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (PubChem CID 169117953) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
PubChem CID169117953
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCNc1ccccc1NC(=O)c1ccc2cnc(SC)nn12
InChIInChI=1S/C15H15N5OS/c1-16-11-5-3-4-6-12(11)18-14(21)13-8-7-10-9-17-15(22-2)19-20(10)13/h3-9,16H,1-2H3,(H,18,21)
InChIKeyPVZVBWDXGQBYRI-UHFFFAOYSA-N
XLogP2.75
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide;1,1-difluorocyclohexane;ethane;fluoromethane;propan-2-one
CID 145153401
N-(2-cyanophenyl)-2-(methylamino)pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 146274100
N-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 2226358
(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl) formate
CID 176754535
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-[2-(methylamino)phenyl]acetamide
CID 22950987
N-(2-chlorophenyl)-2-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide;ethane;fluoromethane
CID 145153372
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide
CID 103510743
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[2-(difluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 134263755
N-(2-bromophenyl)-4-chloro-2-methylsulfanylpyrimidine-5-carboxamide
CID 18858793
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 131905172

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The IUPAC name of N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (CID 169117953) is N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The canonical SMILES for N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is CNc1ccccc1NC(=O)c1ccc2cnc(SC)nn12.
What is the InChIKey of N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The InChIKey is PVZVBWDXGQBYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-16-11-5-3-4-6-12(11)18-14(21)13-8-7-10-9-17-15(22-2)19-20(10)13/h3-9,16H,1-2H3,(H,18,21).
What are the key properties of N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)phenyl]-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 169117953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).