6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane

C6H11N4P — CID 143797442

IUPAC6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane
SMILESPCN1CCCn2cnnc21
InChIInChI=1S/C6H11N4P/c11-5-10-3-1-2-9-4-7-8-6(9)10/h4H,1-3,5,11H2
InChIKeyIDKGXESJQWCNQR-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.32
Rot. Bonds1

About 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane

6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane (PubChem CID 143797442) has the molecular formula C6H11N4P and a molecular weight of 170.16 g/mol. Its IUPAC name is 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane.

Molecular Properties

Compound Name6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane
PubChem CID143797442
Molecular FormulaC6H11N4P
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane
SMILESPCN1CCCn2cnnc21
InChIInChI=1S/C6H11N4P/c11-5-10-3-1-2-9-4-7-8-6(9)10/h4H,1-3,5,11H2
InChIKeyIDKGXESJQWCNQR-UHFFFAOYSA-N
XLogP0.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane?
The IUPAC name of 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane (CID 143797442) is 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane.
What is the SMILES notation for 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane?
The canonical SMILES for 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane is PCN1CCCn2cnnc21.
What is the InChIKey of 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane?
The InChIKey is IDKGXESJQWCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N4P/c11-5-10-3-1-2-9-4-7-8-6(9)10/h4H,1-3,5,11H2.
What are the key properties of 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane?
6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane has a molecular weight of 170.16 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidin-8-ylmethylphosphane is sourced from PubChem (CID 143797442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).