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

C16H19N5O — CID 46094547

IUPAC5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc(NCC(C)C)n3ncnc3n2)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)9-17-15-8-14(20-16-18-10-19-21(15)16)12-4-6-13(22-3)7-5-12/h4-8,10-11,17H,9H2,1-3H3
InChIKeyBAJABCQKGZRULN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds5

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

5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46094547) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID46094547
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc(NCC(C)C)n3ncnc3n2)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)9-17-15-8-14(20-16-18-10-19-21(15)16)12-4-6-13(22-3)7-5-12/h4-8,10-11,17H,9H2,1-3H3
InChIKeyBAJABCQKGZRULN-UHFFFAOYSA-N
XLogP2.87
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 46094547) is 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cc(NCC(C)C)n3ncnc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BAJABCQKGZRULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11(2)9-17-15-8-14(20-16-18-10-19-21(15)16)12-4-6-13(22-3)7-5-12/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46094547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).