5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H19N5O — CID 70199948

IUPAC5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCCOc2ccc3ccccc3c2)c1C
InChIInChI=1S/C19H19N5O/c1-13-14(2)23-19-21-12-22-24(19)18(13)20-9-10-25-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyJZOVOAPMODZXHO-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.39
Rot. Bonds5

About 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70199948) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID70199948
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NCCOc2ccc3ccccc3c2)c1C
InChIInChI=1S/C19H19N5O/c1-13-14(2)23-19-21-12-22-24(19)18(13)20-9-10-25-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyJZOVOAPMODZXHO-UHFFFAOYSA-N
XLogP3.39
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 70199948) is 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NCCOc2ccc3ccccc3c2)c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JZOVOAPMODZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-14(2)23-19-21-12-22-24(19)18(13)20-9-10-25-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 333.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-naphthalen-2-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70199948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).