(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane

C5H4ClN4P — CID 58388823

IUPAC(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
SMILESPc1nnc2c(Cl)nccn12
InChIInChI=1S/C5H4ClN4P/c6-3-4-8-9-5(11)10(4)2-1-7-3/h1-2H,11H2
InChIKeyBHBAKTVMQANBMI-UHFFFAOYSA-N
MW186.54 g/mol
LogP0.28
Rot. Bonds

About (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane

(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane (PubChem CID 58388823) has the molecular formula C5H4ClN4P and a molecular weight of 186.54 g/mol. Its IUPAC name is (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane.

Molecular Properties

Compound Name(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
PubChem CID58388823
Molecular FormulaC5H4ClN4P
Molecular Weight186.54 g/mol
Exact Mass185.99
IUPAC Name(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane
SMILESPc1nnc2c(Cl)nccn12
InChIInChI=1S/C5H4ClN4P/c6-3-4-8-9-5(11)10(4)2-1-7-3/h1-2H,11H2
InChIKeyBHBAKTVMQANBMI-UHFFFAOYSA-N
XLogP0.28
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.54
LogP ≤ 50.28
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 (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane?
The IUPAC name of (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane (CID 58388823) is (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane.
What is the SMILES notation for (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane?
The canonical SMILES for (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane is Pc1nnc2c(Cl)nccn12.
What is the InChIKey of (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane?
The InChIKey is BHBAKTVMQANBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN4P/c6-3-4-8-9-5(11)10(4)2-1-7-3/h1-2H,11H2.
What are the key properties of (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane?
(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane has a molecular weight of 186.54 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phosphane is sourced from PubChem (CID 58388823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).