5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H17ClN4O2 — CID 103075996

IUPAC5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOC1CCCC(Oc2c(C)c(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H17ClN4O2/c1-8-11(14)17-13-15-7-16-18(13)12(8)20-10-5-3-4-9(6-10)19-2/h7,9-10H,3-6H2,1-2H3
InChIKeyKZIAQHQOIDXDQX-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.42
Rot. Bonds3

About 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075996) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075996
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOC1CCCC(Oc2c(C)c(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H17ClN4O2/c1-8-11(14)17-13-15-7-16-18(13)12(8)20-10-5-3-4-9(6-10)19-2/h7,9-10H,3-6H2,1-2H3
InChIKeyKZIAQHQOIDXDQX-UHFFFAOYSA-N
XLogP2.42
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075979
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-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870
5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075998
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 103076746
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
5-chloro-N-cyclohex-3-en-1-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114156779
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
CID 103076453
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
methyl 3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 103076311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075996) is 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COC1CCCC(Oc2c(C)c(Cl)nc3ncnn23)C1.
What is the InChIKey of 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KZIAQHQOIDXDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-8-11(14)17-13-15-7-16-18(13)12(8)20-10-5-3-4-9(6-10)19-2/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 296.76 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).