7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C10H11ClN4O — CID 81330166

IUPAC7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1CCC(c2nnc3cc(Cl)ncn23)O1
InChIInChI=1S/C10H11ClN4O/c1-6-2-3-7(16-6)10-14-13-9-4-8(11)12-5-15(9)10/h4-7H,2-3H2,1H3
InChIKeyKXNPMTSROBGRRA-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.02
Rot. Bonds1

About 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 81330166) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID81330166
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1CCC(c2nnc3cc(Cl)ncn23)O1
InChIInChI=1S/C10H11ClN4O/c1-6-2-3-7(16-6)10-14-13-9-4-8(11)12-5-15(9)10/h4-7H,2-3H2,1H3
InChIKeyKXNPMTSROBGRRA-UHFFFAOYSA-N
XLogP2.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 81330166) is 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is CC1CCC(c2nnc3cc(Cl)ncn23)O1.
What is the InChIKey of 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is KXNPMTSROBGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-2-3-7(16-6)10-14-13-9-4-8(11)12-5-15(9)10/h4-7H,2-3H2,1H3.
What are the key properties of 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 238.68 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-methyloxolan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 81330166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).