(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide

C12H15N5O2S — CID 7888906

IUPAC(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
SMILESCC(C)[C@H](Sc1nnc2ccccn12)C(=O)NC(N)=O
InChIInChI=1S/C12H15N5O2S/c1-7(2)9(10(18)14-11(13)19)20-12-16-15-8-5-3-4-6-17(8)12/h3-7,9H,1-2H3,(H3,13,14,18,19)/t9-/m0/s1
InChIKeyYJRNINKFBYTADA-VIFPVBQESA-N
MW293.35 g/mol
LogP1.04
Rot. Bonds4

About (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide

(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide (PubChem CID 7888906) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
PubChem CID7888906
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
SMILESCC(C)[C@H](Sc1nnc2ccccn12)C(=O)NC(N)=O
InChIInChI=1S/C12H15N5O2S/c1-7(2)9(10(18)14-11(13)19)20-12-16-15-8-5-3-4-6-17(8)12/h3-7,9H,1-2H3,(H3,13,14,18,19)/t9-/m0/s1
InChIKeyYJRNINKFBYTADA-VIFPVBQESA-N
XLogP1.04
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide with MolForge

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Related Compounds

(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
N-carbamoyl-3-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 51140589
(2S)-N-cyclopropyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 9373317
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42897188
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 55126924
N-carbamoyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 4801077
2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
(2S)-N-naphthalen-1-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558347
(2R)-N-[4-(dimethylamino)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2622659

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
The IUPAC name of (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide (CID 7888906) is (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide.
What is the SMILES notation for (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
The canonical SMILES for (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide is CC(C)[C@H](Sc1nnc2ccccn12)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
The InChIKey is YJRNINKFBYTADA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7(2)9(10(18)14-11(13)19)20-12-16-15-8-5-3-4-6-17(8)12/h3-7,9H,1-2H3,(H3,13,14,18,19)/t9-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide?
(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide has a molecular weight of 293.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide is sourced from PubChem (CID 7888906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).