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

C13H13N5O — CID 159463744

IUPAC5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCOc1ccc(-c2nc(N)cc3nc(C)nn23)cc1
InChIInChI=1S/C13H13N5O/c1-8-15-12-7-11(14)16-13(18(12)17-8)9-3-5-10(19-2)6-4-9/h3-7H,14H2,1-2H3
InChIKeyLUXLFTURXRQKNS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.69
Rot. Bonds2

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

5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 159463744) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID159463744
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCOc1ccc(-c2nc(N)cc3nc(C)nn23)cc1
InChIInChI=1S/C13H13N5O/c1-8-15-12-7-11(14)16-13(18(12)17-8)9-3-5-10(19-2)6-4-9/h3-7H,14H2,1-2H3
InChIKeyLUXLFTURXRQKNS-UHFFFAOYSA-N
XLogP1.69
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 159463744) is 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is COc1ccc(-c2nc(N)cc3nc(C)nn23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is LUXLFTURXRQKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-15-12-7-11(14)16-13(18(12)17-8)9-3-5-10(19-2)6-4-9/h3-7H,14H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 255.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 159463744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).