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

C14H11ClN4O — CID 63708498

IUPAC7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(C3CCOc4ccccc43)n2cn1
InChIInChI=1S/C14H11ClN4O/c15-12-7-13-17-18-14(19(13)8-16-12)10-5-6-20-11-4-2-1-3-9(10)11/h1-4,7-8,10H,5-6H2
InChIKeyQIMHTPWCASDIKL-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.69
Rot. Bonds1

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

7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 63708498) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID63708498
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESClc1cc2nnc(C3CCOc4ccccc43)n2cn1
InChIInChI=1S/C14H11ClN4O/c15-12-7-13-17-18-14(19(13)8-16-12)10-5-6-20-11-4-2-1-3-9(10)11/h1-4,7-8,10H,5-6H2
InChIKeyQIMHTPWCASDIKL-UHFFFAOYSA-N
XLogP2.69
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

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Related Compounds

6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrimidin-4-one
CID 114582018
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
CID 65404990
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
2-(2-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazole
CID 63709734
4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 57243248
3-(1-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 102660966
4-chloro-2-(3,4-dihydro-2H-chromen-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 65407159
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol
CID 70119478
6-chloro-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylpyrimidin-4-one
CID 114581590

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 63708498) is 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Clc1cc2nnc(C3CCOc4ccccc43)n2cn1.
What is the InChIKey of 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is QIMHTPWCASDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-7-13-17-18-14(19(13)8-16-12)10-5-6-20-11-4-2-1-3-9(10)11/h1-4,7-8,10H,5-6H2.
What are the key properties of 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 286.72 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,4-dihydro-2H-chromen-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 63708498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).