5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C10H13N5O — CID 68588507

IUPAC5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2ccnc(CC3CCOC3)n2n1
InChIInChI=1S/C10H13N5O/c11-10-13-8-1-3-12-9(15(8)14-10)5-7-2-4-16-6-7/h1,3,7H,2,4-6H2,(H2,11,14)
InChIKeyLFGGERHEGHABDT-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.29
Rot. Bonds2

About 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 68588507) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID68588507
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2ccnc(CC3CCOC3)n2n1
InChIInChI=1S/C10H13N5O/c11-10-13-8-1-3-12-9(15(8)14-10)5-7-2-4-16-6-7/h1,3,7H,2,4-6H2,(H2,11,14)
InChIKeyLFGGERHEGHABDT-UHFFFAOYSA-N
XLogP0.29
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 68588507) is 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Nc1nc2ccnc(CC3CCOC3)n2n1.
What is the InChIKey of 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is LFGGERHEGHABDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-10-13-8-1-3-12-9(15(8)14-10)5-7-2-4-16-6-7/h1,3,7H,2,4-6H2,(H2,11,14).
What are the key properties of 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 68588507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).