1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea

C12H16ClN5O2S — CID 167954577

IUPAC1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea
SMILESCC(CCS(C)=O)NC(=O)Nc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C12H16ClN5O2S/c1-8(4-6-21(2)20)14-12(19)16-11-15-10-7-9(13)3-5-18(10)17-11/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,17,19)
InChIKeyJITPDHFZCQLGKZ-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.66
Rot. Bonds5

About 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea

1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea (PubChem CID 167954577) has the molecular formula C12H16ClN5O2S and a molecular weight of 329.81 g/mol. Its IUPAC name is 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea
PubChem CID167954577
Molecular FormulaC12H16ClN5O2S
Molecular Weight329.81 g/mol
Exact Mass329.07
IUPAC Name1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea
SMILESCC(CCS(C)=O)NC(=O)Nc1nc2cc(Cl)ccn2n1
InChIInChI=1S/C12H16ClN5O2S/c1-8(4-6-21(2)20)14-12(19)16-11-15-10-7-9(13)3-5-18(10)17-11/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,17,19)
InChIKeyJITPDHFZCQLGKZ-UHFFFAOYSA-N
XLogP1.66
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea with MolForge

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Related Compounds

5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
methyl 2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoate
CID 116990277
6-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-3-carboxamide
CID 115673226
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
3-chloro-N-[7-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzamide
CID 155550044
3-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutanoic acid
CID 116990214
3-chloro-N-(7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 155541099
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N,N-dimethylmethanamine
CID 117257839
2-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propan-2-ol
CID 116990246
7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257860
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyridine-2-carboxamide
CID 110471213
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea?
The IUPAC name of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea (CID 167954577) is 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea.
What is the SMILES notation for 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea?
The canonical SMILES for 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea is CC(CCS(C)=O)NC(=O)Nc1nc2cc(Cl)ccn2n1.
What is the InChIKey of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea?
The InChIKey is JITPDHFZCQLGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2S/c1-8(4-6-21(2)20)14-12(19)16-11-15-10-7-9(13)3-5-18(10)17-11/h3,5,7-8H,4,6H2,1-2H3,(H2,14,16,17,19).
What are the key properties of 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea?
1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea has a molecular weight of 329.81 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(4-methylsulfinylbutan-2-yl)urea is sourced from PubChem (CID 167954577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).