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

C16H19N5 — CID 22432588

IUPAC2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(NCc3ccc(C)cc3)n2n1
InChIInChI=1S/C16H19N5/c1-4-14-19-16-18-12(3)9-15(21(16)20-14)17-10-13-7-5-11(2)6-8-13/h5-9,17H,4,10H2,1-3H3
InChIKeyGWWKQMCANFWFSA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.92
Rot. Bonds4

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

2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22432588) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22432588
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(NCc3ccc(C)cc3)n2n1
InChIInChI=1S/C16H19N5/c1-4-14-19-16-18-12(3)9-15(21(16)20-14)17-10-13-7-5-11(2)6-8-13/h5-9,17H,4,10H2,1-3H3
InChIKeyGWWKQMCANFWFSA-UHFFFAOYSA-N
XLogP2.92
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22432588) is 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(NCc3ccc(C)cc3)n2n1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GWWKQMCANFWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-14-19-16-18-12(3)9-15(21(16)20-14)17-10-13-7-5-11(2)6-8-13/h5-9,17H,4,10H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22432588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).