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

C11H7Cl2N5O — CID 103075998

IUPAC5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Oc1cncc(Cl)c1
InChIInChI=1S/C11H7Cl2N5O/c1-6-9(13)17-11-15-5-16-18(11)10(6)19-8-2-7(12)3-14-4-8/h2-5H,1H3
InChIKeyURZREYWXZDYZRP-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.93
Rot. Bonds2

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

5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075998) has the molecular formula C11H7Cl2N5O and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075998
Molecular FormulaC11H7Cl2N5O
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Oc1cncc(Cl)c1
InChIInChI=1S/C11H7Cl2N5O/c1-6-9(13)17-11-15-5-16-18(11)10(6)19-8-2-7(12)3-14-4-8/h2-5H,1H3
InChIKeyURZREYWXZDYZRP-UHFFFAOYSA-N
XLogP2.93
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107169190
7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076016
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075883
5-chloro-7-(4-chloropyrazol-1-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077017
4-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3-fluorobenzonitrile
CID 107664697
5-chloro-7-(3-methoxycyclohexyl)oxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075996
3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-4,5-dimethylpyridazine
CID 64601172
5-chloro-6-methyl-7-[2-(2-methylpropoxy)ethoxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 106447530
5-chloro-6-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103076148
5-chloro-6-methyl-7-(oxan-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075979
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075998) is 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1Oc1cncc(Cl)c1.
What is the InChIKey of 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is URZREYWXZDYZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O/c1-6-9(13)17-11-15-5-16-18(11)10(6)19-8-2-7(12)3-14-4-8/h2-5H,1H3.
What are the key properties of 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 296.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).