6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C16H16Cl2N6O3S — CID 42348816

IUPAC6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(=O)[nH]c1=O
InChIInChI=1S/C16H16Cl2N6O3S/c1-7(2)4-23-12(19)11(14(26)20-15(23)27)10(25)6-28-16-22-21-13-9(18)3-8(17)5-24(13)16/h3,5,7H,4,6,19H2,1-2H3,(H,20,26,27)
InChIKeyOPFNXNOWLCRVEH-UHFFFAOYSA-N
MW443.32 g/mol
LogP2.10
Rot. Bonds6

About 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 42348816) has the molecular formula C16H16Cl2N6O3S and a molecular weight of 443.32 g/mol. Its IUPAC name is 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID42348816
Molecular FormulaC16H16Cl2N6O3S
Molecular Weight443.32 g/mol
Exact Mass442.04
IUPAC Name6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(=O)[nH]c1=O
InChIInChI=1S/C16H16Cl2N6O3S/c1-7(2)4-23-12(19)11(14(26)20-15(23)27)10(25)6-28-16-22-21-13-9(18)3-8(17)5-24(13)16/h3,5,7H,4,6,19H2,1-2H3,(H,20,26,27)
InChIKeyOPFNXNOWLCRVEH-UHFFFAOYSA-N
XLogP2.10
TPSA128.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 42348816) is 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is OPFNXNOWLCRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6O3S/c1-7(2)4-23-12(19)11(14(26)20-15(23)27)10(25)6-28-16-22-21-13-9(18)3-8(17)5-24(13)16/h3,5,7H,4,6,19H2,1-2H3,(H,20,26,27).
What are the key properties of 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 443.32 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 42348816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).