5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide

C10H9FN6OS — CID 140627297

IUPAC5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
SMILESCSc1nnc(C(N)=O)c(Nc2cncc(F)c2)n1
InChIInChI=1S/C10H9FN6OS/c1-19-10-15-9(7(8(12)18)16-17-10)14-6-2-5(11)3-13-4-6/h2-4H,1H3,(H2,12,18)(H,14,15,17)
InChIKeyJUYIXGZOCOXKJU-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.97
Rot. Bonds4

About 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide

5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide (PubChem CID 140627297) has the molecular formula C10H9FN6OS and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
PubChem CID140627297
Molecular FormulaC10H9FN6OS
Molecular Weight280.29 g/mol
Exact Mass280.05
IUPAC Name5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide
SMILESCSc1nnc(C(N)=O)c(Nc2cncc(F)c2)n1
InChIInChI=1S/C10H9FN6OS/c1-19-10-15-9(7(8(12)18)16-17-10)14-6-2-5(11)3-13-4-6/h2-4H,1H3,(H2,12,18)(H,14,15,17)
InChIKeyJUYIXGZOCOXKJU-UHFFFAOYSA-N
XLogP0.97
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

6-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509276
ethyl 5-[(5-cyclopropyl-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate
CID 90308818
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
CID 58459128
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509232
5-amino-3-methylsulfanyl-1,2,4-triazine-6-carboxylic acid
CID 23446130
N-(5-fluoro-3-pyridinyl)-2,2-dimethylpropanamide
CID 86726332
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3,5-difluoroanilino)-1,2,4-triazine-6-carboxamide
CID 72705433
[5-carbamoyl-3-fluoro-6-[(5-fluoro-3-pyridinyl)amino]-2-pyridinyl]-dimethyl-[3-(methylamino)oxan-4-yl]azanium
CID 123428846
4-[(5-fluoro-3-pyridinyl)amino]-2-methylbenzenecarbothioamide
CID 114254846
2-carbamothioyl-N-(5-fluoro-3-pyridinyl)-3-methylbutanamide
CID 114254833
4-chloro-6-[4-fluoro-3-(methylcarbamoyl)anilino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 88572012

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide (CID 140627297) is 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide is CSc1nnc(C(N)=O)c(Nc2cncc(F)c2)n1.
What is the InChIKey of 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
The InChIKey is JUYIXGZOCOXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN6OS/c1-19-10-15-9(7(8(12)18)16-17-10)14-6-2-5(11)3-13-4-6/h2-4H,1H3,(H2,12,18)(H,14,15,17).
What are the key properties of 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide?
5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-3-pyridinyl)amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 140627297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).