[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine

C13H12ClN5O — CID 114323804

IUPAC[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
SMILESCc1cc(Oc2cccc(Cl)c2CN)n2ncnc2n1
InChIInChI=1S/C13H12ClN5O/c1-8-5-12(19-13(18-8)16-7-17-19)20-11-4-2-3-10(14)9(11)6-15/h2-5,7H,6,15H2,1H3
InChIKeyZZFRNIPXAITLEA-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.34
Rot. Bonds3

About [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine

[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine (PubChem CID 114323804) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
PubChem CID114323804
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
SMILESCc1cc(Oc2cccc(Cl)c2CN)n2ncnc2n1
InChIInChI=1S/C13H12ClN5O/c1-8-5-12(19-13(18-8)16-7-17-19)20-11-4-2-3-10(14)9(11)6-15/h2-5,7H,6,15H2,1H3
InChIKeyZZFRNIPXAITLEA-UHFFFAOYSA-N
XLogP2.34
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine (CID 114323804) is [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine is Cc1cc(Oc2cccc(Cl)c2CN)n2ncnc2n1.
What is the InChIKey of [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine?
The InChIKey is ZZFRNIPXAITLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8-5-12(19-13(18-8)16-7-17-19)20-11-4-2-3-10(14)9(11)6-15/h2-5,7H,6,15H2,1H3.
What are the key properties of [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine?
[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine has a molecular weight of 289.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 114323804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).