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

C15H17N5O — CID 650229

IUPACN-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1
InChIInChI=1S/C15H17N5O/c1-3-5-11-9-14(20-15(19-11)16-10-17-20)18-12-6-4-7-13(8-12)21-2/h4,6-10,18H,3,5H2,1-2H3
InChIKeySOUWBNBZAMLAES-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.83
Rot. Bonds5

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

N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 650229) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID650229
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1
InChIInChI=1S/C15H17N5O/c1-3-5-11-9-14(20-15(19-11)16-10-17-20)18-12-6-4-7-13(8-12)21-2/h4,6-10,18H,3,5H2,1-2H3
InChIKeySOUWBNBZAMLAES-UHFFFAOYSA-N
XLogP2.83
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.83
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-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 650229) is N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1.
What is the InChIKey of N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SOUWBNBZAMLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-5-11-9-14(20-15(19-11)16-10-17-20)18-12-6-4-7-13(8-12)21-2/h4,6-10,18H,3,5H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 650229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).