(4-propan-2-yltriazol-1-yl)methylphosphane

C6H12N3P — CID 59576295

IUPAC(4-propan-2-yltriazol-1-yl)methylphosphane
SMILESCC(C)c1cn(CP)nn1
InChIInChI=1S/C6H12N3P/c1-5(2)6-3-9(4-10)8-7-6/h3,5H,4,10H2,1-2H3
InChIKeyXDOHNHJZDWTSDU-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.23
Rot. Bonds2

About (4-propan-2-yltriazol-1-yl)methylphosphane

(4-propan-2-yltriazol-1-yl)methylphosphane (PubChem CID 59576295) has the molecular formula C6H12N3P and a molecular weight of 157.16 g/mol. Its IUPAC name is (4-propan-2-yltriazol-1-yl)methylphosphane.

Molecular Properties

Compound Name(4-propan-2-yltriazol-1-yl)methylphosphane
PubChem CID59576295
Molecular FormulaC6H12N3P
Molecular Weight157.16 g/mol
Exact Mass157.08
IUPAC Name(4-propan-2-yltriazol-1-yl)methylphosphane
SMILESCC(C)c1cn(CP)nn1
InChIInChI=1S/C6H12N3P/c1-5(2)6-3-9(4-10)8-7-6/h3,5H,4,10H2,1-2H3
InChIKeyXDOHNHJZDWTSDU-UHFFFAOYSA-N
XLogP1.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
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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Related Compounds

ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
CID 170610061
4-propan-2-yl-1-(2-propan-2-yloxypropyl)triazole
CID 177261425
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
1-sulfanylethyl 2-(4-propan-2-yltriazol-1-yl)acetate
CID 155094676
methane;2-methyl-N-[(4-propan-2-yltriazol-1-yl)methyl]propanamide
CID 160921955
4-(1-bromoethyl)-1-(2-methylpropyl)triazole
CID 81448658
ethyl 4-(4-propan-2-yltriazol-1-yl)butanoate
CID 164942287
1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444296
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
(1-ethyltriazol-4-yl)methanediol
CID 170377100
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yltriazol-1-yl)methylphosphane?
The IUPAC name of (4-propan-2-yltriazol-1-yl)methylphosphane (CID 59576295) is (4-propan-2-yltriazol-1-yl)methylphosphane.
What is the SMILES notation for (4-propan-2-yltriazol-1-yl)methylphosphane?
The canonical SMILES for (4-propan-2-yltriazol-1-yl)methylphosphane is CC(C)c1cn(CP)nn1.
What is the InChIKey of (4-propan-2-yltriazol-1-yl)methylphosphane?
The InChIKey is XDOHNHJZDWTSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3P/c1-5(2)6-3-9(4-10)8-7-6/h3,5H,4,10H2,1-2H3.
What are the key properties of (4-propan-2-yltriazol-1-yl)methylphosphane?
(4-propan-2-yltriazol-1-yl)methylphosphane has a molecular weight of 157.16 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 (4-propan-2-yltriazol-1-yl)methylphosphane is sourced from PubChem (CID 59576295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).