7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine

C10H7ClN4S — CID 65426303

IUPAC7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(-c3cccs3)n12
InChIInChI=1S/C10H7ClN4S/c1-6-12-8(11)5-9-13-14-10(15(6)9)7-3-2-4-16-7/h2-5H,1H3
InChIKeySZPCRVFOEDCQDN-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.81
Rot. Bonds1

About 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65426303) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65426303
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(-c3cccs3)n12
InChIInChI=1S/C10H7ClN4S/c1-6-12-8(11)5-9-13-14-10(15(6)9)7-3-2-4-16-7/h2-5H,1H3
InChIKeySZPCRVFOEDCQDN-UHFFFAOYSA-N
XLogP2.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061325
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831
methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142735
4-chloro-2-cyclopropyl-6-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133432670
6-chloro-4-thiophen-2-ylpyridin-2-amine
CID 96614062
N-(6-chloro-2-methylpyrimidin-4-yl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 108777084
4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11792335
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine
CID 90009339
5-benzyl-12-methyl-4-thiophen-2-yl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 118159609

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65426303) is 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nc(Cl)cc2nnc(-c3cccs3)n12.
What is the InChIKey of 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is SZPCRVFOEDCQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c1-6-12-8(11)5-9-13-14-10(15(6)9)7-3-2-4-16-7/h2-5H,1H3.
What are the key properties of 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 250.71 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65426303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).