7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C7H7ClN4O — CID 16767723

IUPAC7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C7H7ClN4O/c1-13-3-5-2-6(8)12-7(11-5)9-4-10-12/h2,4H,3H2,1H3
InChIKeyNGAFBVWCOQBJAL-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.92
Rot. Bonds2

About 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16767723) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16767723
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1cc(Cl)n2ncnc2n1
InChIInChI=1S/C7H7ClN4O/c1-13-3-5-2-6(8)12-7(11-5)9-4-10-12/h2,4H,3H2,1H3
InChIKeyNGAFBVWCOQBJAL-UHFFFAOYSA-N
XLogP0.92
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16767723) is 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NGAFBVWCOQBJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c1-13-3-5-2-6(8)12-7(11-5)9-4-10-12/h2,4H,3H2,1H3.
What are the key properties of 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 198.61 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16767723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).