5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C16H17N5OS — CID 133307441

IUPAC5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC=C(c3cccs3)CC2)n2ncnc2n1
InChIInChI=1S/C16H17N5OS/c1-22-10-13-9-15(21-16(19-13)17-11-18-21)20-6-4-12(5-7-20)14-3-2-8-23-14/h2-4,8-9,11H,5-7,10H2,1H3
InChIKeyUFJWAORHZZUGIP-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.63
Rot. Bonds4

About 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133307441) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133307441
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CC=C(c3cccs3)CC2)n2ncnc2n1
InChIInChI=1S/C16H17N5OS/c1-22-10-13-9-15(21-16(19-13)17-11-18-21)20-6-4-12(5-7-20)14-3-2-8-23-14/h2-4,8-9,11H,5-7,10H2,1H3
InChIKeyUFJWAORHZZUGIP-UHFFFAOYSA-N
XLogP2.63
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
CID 133289444
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018
5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773
7-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126947093
7-(3-ethylsulfanylazepan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133311255
5-(methoxymethyl)-7-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 100727217
2-(4-fluorophenyl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-methylmorpholine
CID 133330365

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133307441) is 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1cc(N2CC=C(c3cccs3)CC2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UFJWAORHZZUGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-22-10-13-9-15(21-16(19-13)17-11-18-21)20-6-4-12(5-7-20)14-3-2-8-23-14/h2-4,8-9,11H,5-7,10H2,1H3.
What are the key properties of 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 327.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133307441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).