dimethyl-(3-propan-2-yltriazol-4-yl)phosphane

C7H14N3P — CID 134414555

IUPACdimethyl-(3-propan-2-yltriazol-4-yl)phosphane
SMILESCC(C)n1nncc1P(C)C
InChIInChI=1S/C7H14N3P/c1-6(2)10-7(11(3)4)5-8-9-10/h5-6H,1-4H3
InChIKeyXJUAKUGVMVHXDE-UHFFFAOYSA-N
MW171.18 g/mol
LogP1.23
Rot. Bonds2

About dimethyl-(3-propan-2-yltriazol-4-yl)phosphane

dimethyl-(3-propan-2-yltriazol-4-yl)phosphane (PubChem CID 134414555) has the molecular formula C7H14N3P and a molecular weight of 171.18 g/mol. Its IUPAC name is dimethyl-(3-propan-2-yltriazol-4-yl)phosphane.

Molecular Properties

Compound Namedimethyl-(3-propan-2-yltriazol-4-yl)phosphane
PubChem CID134414555
Molecular FormulaC7H14N3P
Molecular Weight171.18 g/mol
Exact Mass171.09
IUPAC Namedimethyl-(3-propan-2-yltriazol-4-yl)phosphane
SMILESCC(C)n1nncc1P(C)C
InChIInChI=1S/C7H14N3P/c1-6(2)10-7(11(3)4)5-8-9-10/h5-6H,1-4H3
InChIKeyXJUAKUGVMVHXDE-UHFFFAOYSA-N
XLogP1.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-propan-2-yltriazol-4-yl)phosphane?
The IUPAC name of dimethyl-(3-propan-2-yltriazol-4-yl)phosphane (CID 134414555) is dimethyl-(3-propan-2-yltriazol-4-yl)phosphane.
What is the SMILES notation for dimethyl-(3-propan-2-yltriazol-4-yl)phosphane?
The canonical SMILES for dimethyl-(3-propan-2-yltriazol-4-yl)phosphane is CC(C)n1nncc1P(C)C.
What is the InChIKey of dimethyl-(3-propan-2-yltriazol-4-yl)phosphane?
The InChIKey is XJUAKUGVMVHXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N3P/c1-6(2)10-7(11(3)4)5-8-9-10/h5-6H,1-4H3.
What are the key properties of dimethyl-(3-propan-2-yltriazol-4-yl)phosphane?
dimethyl-(3-propan-2-yltriazol-4-yl)phosphane has a molecular weight of 171.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-propan-2-yltriazol-4-yl)phosphane is sourced from PubChem (CID 134414555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).