7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C10H7ClN4S — CID 43144497

IUPAC7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(Cc3cccs3)n2cn1
InChIInChI=1S/C10H7ClN4S/c11-8-5-10-14-13-9(15(10)6-12-8)4-7-2-1-3-16-7/h1-3,5-6H,4H2
InChIKeyIICYYPLOZKBBEV-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.43
Rot. Bonds2

About 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144497) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144497
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(Cc3cccs3)n2cn1
InChIInChI=1S/C10H7ClN4S/c11-8-5-10-14-13-9(15(10)6-12-8)4-7-2-1-3-16-7/h1-3,5-6H,4H2
InChIKeyIICYYPLOZKBBEV-UHFFFAOYSA-N
XLogP2.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327092
7-chloro-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327133
N-(2-methylpyrazol-3-yl)-4-[3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl]pyrimidin-2-amine
CID 134204836
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683
7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144417
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103208762
5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061343
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117142407
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144497) is 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(Cc3cccs3)n2cn1.
What is the InChIKey of 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is IICYYPLOZKBBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-8-5-10-14-13-9(15(10)6-12-8)4-7-2-1-3-16-7/h1-3,5-6H,4H2.
What are the key properties of 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 250.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).