6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

C10H13N5O — CID 121282067

IUPAC6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1nc2ccc(C3CCOC3)c(N)n2n1
InChIInChI=1S/C10H13N5O/c11-9-7(6-3-4-16-5-6)1-2-8-13-10(12)14-15(8)9/h1-2,6H,3-5,11H2,(H2,12,14)
InChIKeyHHKYVXKWTIHTRQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.40
Rot. Bonds1

About 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine

6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (PubChem CID 121282067) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
PubChem CID121282067
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine
SMILESNc1nc2ccc(C3CCOC3)c(N)n2n1
InChIInChI=1S/C10H13N5O/c11-9-7(6-3-4-16-5-6)1-2-8-13-10(12)14-15(8)9/h1-2,6H,3-5,11H2,(H2,12,14)
InChIKeyHHKYVXKWTIHTRQ-UHFFFAOYSA-N
XLogP0.40
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The IUPAC name of 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine (CID 121282067) is 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine.
What is the SMILES notation for 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The canonical SMILES for 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is Nc1nc2ccc(C3CCOC3)c(N)n2n1.
What is the InChIKey of 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
The InChIKey is HHKYVXKWTIHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-9-7(6-3-4-16-5-6)1-2-8-13-10(12)14-15(8)9/h1-2,6H,3-5,11H2,(H2,12,14).
What are the key properties of 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine?
6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine has a molecular weight of 219.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,5-diamine is sourced from PubChem (CID 121282067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).