5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine

C10H13ClN4O — CID 103075883

IUPAC5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OC(C)(C)C
InChIInChI=1S/C10H13ClN4O/c1-6-7(11)14-9-12-5-13-15(9)8(6)16-10(2,3)4/h5H,1-4H3
InChIKeyWZPAGAMSVYHLKN-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.26
Rot. Bonds1

About 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075883) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075883
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OC(C)(C)C
InChIInChI=1S/C10H13ClN4O/c1-6-7(11)14-9-12-5-13-15(9)8(6)16-10(2,3)4/h5H,1-4H3
InChIKeyWZPAGAMSVYHLKN-UHFFFAOYSA-N
XLogP2.26
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075883) is 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1OC(C)(C)C.
What is the InChIKey of 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WZPAGAMSVYHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-7(11)14-9-12-5-13-15(9)8(6)16-10(2,3)4/h5H,1-4H3.
What are the key properties of 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 240.69 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).