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

C14H15N5O — CID 5308802

IUPACN-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3nc(C)nn23)c1
InChIInChI=1S/C14H15N5O/c1-9-7-13(19-14(15-9)16-10(2)18-19)17-11-5-4-6-12(8-11)20-3/h4-8,17H,1-3H3
InChIKeyVUZKLBNOXAFVRN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.49
Rot. Bonds3

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

N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308802) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308802
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc(Nc2cc(C)nc3nc(C)nn23)c1
InChIInChI=1S/C14H15N5O/c1-9-7-13(19-14(15-9)16-10(2)18-19)17-11-5-4-6-12(8-11)20-3/h4-8,17H,1-3H3
InChIKeyVUZKLBNOXAFVRN-UHFFFAOYSA-N
XLogP2.49
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308802) is N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cccc(Nc2cc(C)nc3nc(C)nn23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VUZKLBNOXAFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-7-13(19-14(15-9)16-10(2)18-19)17-11-5-4-6-12(8-11)20-3/h4-8,17H,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 269.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).