7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H16ClN5O — CID 133406480

IUPAC7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Oc3cccc(Cl)c3)C2)n2ncnc2n1
InChIInChI=1S/C16H16ClN5O/c1-11-7-15(22-16(20-11)18-10-19-22)21-6-5-14(9-21)23-13-4-2-3-12(17)8-13/h2-4,7-8,10,14H,5-6,9H2,1H3
InChIKeyLDTMEEDUAMMPNY-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.74
Rot. Bonds3

About 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133406480) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133406480
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(Oc3cccc(Cl)c3)C2)n2ncnc2n1
InChIInChI=1S/C16H16ClN5O/c1-11-7-15(22-16(20-11)18-10-19-22)21-6-5-14(9-21)23-13-4-2-3-12(17)8-13/h2-4,7-8,10,14H,5-6,9H2,1H3
InChIKeyLDTMEEDUAMMPNY-UHFFFAOYSA-N
XLogP2.74
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354956
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
CID 82692163
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
5-methyl-7-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136526216
5-chloro-2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-nitropyridine
CID 133406376

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133406480) is 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(Oc3cccc(Cl)c3)C2)n2ncnc2n1.
What is the InChIKey of 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LDTMEEDUAMMPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11-7-15(22-16(20-11)18-10-19-22)21-6-5-14(9-21)23-13-4-2-3-12(17)8-13/h2-4,7-8,10,14H,5-6,9H2,1H3.
What are the key properties of 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 329.79 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133406480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).