N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H13N5O — CID 743055

IUPACN-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C13H13N5O/c1-9-6-12(18-13(16-9)14-8-15-18)17-10-4-3-5-11(7-10)19-2/h3-8,17H,1-2H3
InChIKeyQXNXUILDQCKKKO-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds3

About N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 743055) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID743055
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3ncnn23)c1
InChIInChI=1S/C13H13N5O/c1-9-6-12(18-13(16-9)14-8-15-18)17-10-4-3-5-11(7-10)19-2/h3-8,17H,1-2H3
InChIKeyQXNXUILDQCKKKO-UHFFFAOYSA-N
XLogP2.18
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 743055) is N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2cc(C)nc3ncnn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QXNXUILDQCKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-6-12(18-13(16-9)14-8-15-18)17-10-4-3-5-11(7-10)19-2/h3-8,17H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 743055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).