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

C19H23N5O2 — CID 133274615

IUPAC5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC2CCCOC2c2ccccc2)n2ncnc2n1
InChIInChI=1S/C19H23N5O2/c1-25-12-16-10-17(24-19(23-16)21-13-22-24)20-11-15-8-5-9-26-18(15)14-6-3-2-4-7-14/h2-4,6-7,10,13,15,18,20H,5,8-9,11-12H2,1H3
InChIKeyAGPNBDOSHSCSFU-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.85
Rot. Bonds6

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

5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133274615) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133274615
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(NCC2CCCOC2c2ccccc2)n2ncnc2n1
InChIInChI=1S/C19H23N5O2/c1-25-12-16-10-17(24-19(23-16)21-13-22-24)20-11-15-8-5-9-26-18(15)14-6-3-2-4-7-14/h2-4,6-7,10,13,15,18,20H,5,8-9,11-12H2,1H3
InChIKeyAGPNBDOSHSCSFU-UHFFFAOYSA-N
XLogP2.85
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133274615) is 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(NCC2CCCOC2c2ccccc2)n2ncnc2n1.
What is the InChIKey of 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AGPNBDOSHSCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-25-12-16-10-17(24-19(23-16)21-13-22-24)20-11-15-8-5-9-26-18(15)14-6-3-2-4-7-14/h2-4,6-7,10,13,15,18,20H,5,8-9,11-12H2,1H3.
What are the key properties of 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133274615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).