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

C15H17N5 — CID 39771896

IUPAC5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCc2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H17N5/c1-12-10-14(20-15(19-12)17-11-18-20)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3
InChIKeyWKMKXAJEUIARKZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.48
Rot. Bonds5

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

5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 39771896) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID39771896
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCc2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H17N5/c1-12-10-14(20-15(19-12)17-11-18-20)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3
InChIKeyWKMKXAJEUIARKZ-UHFFFAOYSA-N
XLogP2.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 39771896) is 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCc2ccccc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WKMKXAJEUIARKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-12-10-14(20-15(19-12)17-11-18-20)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,16H,5,8-9H2,1H3.
What are the key properties of 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 39771896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).