5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H21N5O2 — CID 133348299

IUPAC5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(C)COC2CCOC2)n2ncnc2n1
InChIInChI=1S/C14H21N5O2/c1-3-11-6-13(19-14(18-11)15-9-16-19)17-10(2)7-21-12-4-5-20-8-12/h6,9-10,12,17H,3-5,7-8H2,1-2H3
InChIKeyUSAGPXZMMVXTAT-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.29
Rot. Bonds6

About 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133348299) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133348299
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(C)COC2CCOC2)n2ncnc2n1
InChIInChI=1S/C14H21N5O2/c1-3-11-6-13(19-14(18-11)15-9-16-19)17-10(2)7-21-12-4-5-20-8-12/h6,9-10,12,17H,3-5,7-8H2,1-2H3
InChIKeyUSAGPXZMMVXTAT-UHFFFAOYSA-N
XLogP1.29
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133348299) is 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC(C)COC2CCOC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is USAGPXZMMVXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-11-6-13(19-14(18-11)15-9-16-19)17-10(2)7-21-12-4-5-20-8-12/h6,9-10,12,17H,3-5,7-8H2,1-2H3.
What are the key properties of 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133348299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).