7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C9H5ClN4O — CID 43144429

IUPAC7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3ccco3)n2cn1
InChIInChI=1S/C9H5ClN4O/c10-7-4-8-12-13-9(14(8)5-11-7)6-2-1-3-15-6/h1-5H
InChIKeyJUYJTWSNRAXXMD-UHFFFAOYSA-N
MW220.62 g/mol
LogP2.04
Rot. Bonds1

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

7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144429) has the molecular formula C9H5ClN4O and a molecular weight of 220.62 g/mol. Its IUPAC name is 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144429
Molecular FormulaC9H5ClN4O
Molecular Weight220.62 g/mol
Exact Mass220.02
IUPAC Name7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(-c3ccco3)n2cn1
InChIInChI=1S/C9H5ClN4O/c10-7-4-8-12-13-9(14(8)5-11-7)6-2-1-3-15-6/h1-5H
InChIKeyJUYJTWSNRAXXMD-UHFFFAOYSA-N
XLogP2.04
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327109
3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143617
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141884
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 104615353
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 82379941
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
4-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzonitrile
CID 43144435
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277
7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144429) is 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(-c3ccco3)n2cn1.
What is the InChIKey of 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is JUYJTWSNRAXXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O/c10-7-4-8-12-13-9(14(8)5-11-7)6-2-1-3-15-6/h1-5H.
What are the key properties of 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 220.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).