5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H15ClN4O2 — CID 103075979

IUPAC5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OCC1CCOCC1
InChIInChI=1S/C12H15ClN4O2/c1-8-10(13)16-12-14-7-15-17(12)11(8)19-6-9-2-4-18-5-3-9/h7,9H,2-6H2,1H3
InChIKeyMTRTYXVZCCMNPL-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.89
Rot. Bonds3

About 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075979) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075979
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OCC1CCOCC1
InChIInChI=1S/C12H15ClN4O2/c1-8-10(13)16-12-14-7-15-17(12)11(8)19-6-9-2-4-18-5-3-9/h7,9H,2-6H2,1H3
InChIKeyMTRTYXVZCCMNPL-UHFFFAOYSA-N
XLogP1.89
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-methyl-7-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 103076139
5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075996
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075883
5-chloro-6-methyl-7-[2-(2-methylpropoxy)ethoxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 106447530
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
CID 80972734
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076140
5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076494

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075979) is 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1OCC1CCOCC1.
What is the InChIKey of 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MTRTYXVZCCMNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-8-10(13)16-12-14-7-15-17(12)11(8)19-6-9-2-4-18-5-3-9/h7,9H,2-6H2,1H3.
What are the key properties of 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 282.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).