1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea

C15H21N5O2S — CID 71969595

IUPAC1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOCc1nc2n(n1)CCCC2NC(=O)NCc1sccc1C
InChIInChI=1S/C15H21N5O2S/c1-10-5-7-23-12(10)8-16-15(21)17-11-4-3-6-20-14(11)18-13(19-20)9-22-2/h5,7,11H,3-4,6,8-9H2,1-2H3,(H2,16,17,21)
InChIKeyHDBXEVZRMUSUFJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 71969595) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID71969595
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOCc1nc2n(n1)CCCC2NC(=O)NCc1sccc1C
InChIInChI=1S/C15H21N5O2S/c1-10-5-7-23-12(10)8-16-15(21)17-11-4-3-6-20-14(11)18-13(19-20)9-22-2/h5,7,11H,3-4,6,8-9H2,1-2H3,(H2,16,17,21)
InChIKeyHDBXEVZRMUSUFJ-UHFFFAOYSA-N
XLogP2.13
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea 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 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 71969595) is 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea is COCc1nc2n(n1)CCCC2NC(=O)NCc1sccc1C.
What is the InChIKey of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is HDBXEVZRMUSUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-5-7-23-12(10)8-16-15(21)17-11-4-3-6-20-14(11)18-13(19-20)9-22-2/h5,7,11H,3-4,6,8-9H2,1-2H3,(H2,16,17,21).
What are the key properties of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 335.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 71969595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).