tris(1-methylimidazol-2-yl)phosphane

C12H15N6P — CID 12934587

IUPACtris(1-methylimidazol-2-yl)phosphane
SMILESCn1ccnc1P(c1nccn1C)c1nccn1C
InChIInChI=1S/C12H15N6P/c1-16-7-4-13-10(16)19(11-14-5-8-17(11)2)12-15-6-9-18(12)3/h4-9H,1-3H3
InChIKeyQGAOVWPMWXPLPD-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.35
Rot. Bonds3

About tris(1-methylimidazol-2-yl)phosphane

tris(1-methylimidazol-2-yl)phosphane (PubChem CID 12934587) has the molecular formula C12H15N6P and a molecular weight of 274.27 g/mol. Its IUPAC name is tris(1-methylimidazol-2-yl)phosphane.

Molecular Properties

Compound Nametris(1-methylimidazol-2-yl)phosphane
PubChem CID12934587
Molecular FormulaC12H15N6P
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Nametris(1-methylimidazol-2-yl)phosphane
SMILESCn1ccnc1P(c1nccn1C)c1nccn1C
InChIInChI=1S/C12H15N6P/c1-16-7-4-13-10(16)19(11-14-5-8-17(11)2)12-15-6-9-18(12)3/h4-9H,1-3H3
InChIKeyQGAOVWPMWXPLPD-UHFFFAOYSA-N
XLogP-0.35
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(1-methylimidazol-2-yl)phosphane?
The IUPAC name of tris(1-methylimidazol-2-yl)phosphane (CID 12934587) is tris(1-methylimidazol-2-yl)phosphane.
What is the SMILES notation for tris(1-methylimidazol-2-yl)phosphane?
The canonical SMILES for tris(1-methylimidazol-2-yl)phosphane is Cn1ccnc1P(c1nccn1C)c1nccn1C.
What is the InChIKey of tris(1-methylimidazol-2-yl)phosphane?
The InChIKey is QGAOVWPMWXPLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N6P/c1-16-7-4-13-10(16)19(11-14-5-8-17(11)2)12-15-6-9-18(12)3/h4-9H,1-3H3.
What are the key properties of tris(1-methylimidazol-2-yl)phosphane?
tris(1-methylimidazol-2-yl)phosphane has a molecular weight of 274.27 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methylimidazol-2-yl)phosphane is sourced from PubChem (CID 12934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).