1,2,4-triazol-1-ylmethylphosphane

C3H6N3P — CID 67877171

IUPAC1,2,4-triazol-1-ylmethylphosphane
SMILESPCn1cncn1
InChIInChI=1S/C3H6N3P/c7-3-6-2-4-1-5-6/h1-2H,3,7H2
InChIKeyCSUZBJTWLMWTFD-UHFFFAOYSA-N
MW115.08 g/mol
LogP0.11
Rot. Bonds1

About 1,2,4-triazol-1-ylmethylphosphane

1,2,4-triazol-1-ylmethylphosphane (PubChem CID 67877171) has the molecular formula C3H6N3P and a molecular weight of 115.08 g/mol. Its IUPAC name is 1,2,4-triazol-1-ylmethylphosphane.

Molecular Properties

Compound Name1,2,4-triazol-1-ylmethylphosphane
PubChem CID67877171
Molecular FormulaC3H6N3P
Molecular Weight115.08 g/mol
Exact Mass115.03
IUPAC Name1,2,4-triazol-1-ylmethylphosphane
SMILESPCn1cncn1
InChIInChI=1S/C3H6N3P/c7-3-6-2-4-1-5-6/h1-2H,3,7H2
InChIKeyCSUZBJTWLMWTFD-UHFFFAOYSA-N
XLogP0.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.08
LogP ≤ 50.11
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

1,2,4-triazol-1-ylmethylsilane
CID 123456022
2-(1,2,4-triazol-1-yl)ethanamine
CID 3039957
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
N,N-dimethyl-1-(1,2,4-triazol-1-yl)methanamine;vanadium
CID 161276001
1-(oxiren-2-ylmethyl)-1,2,4-triazole
CID 68765220
1-(3-ethylsulfonylpropyl)-1,2,4-triazole
CID 65097350
10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
1-[[(2S)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 42281468
4-(1,2,4-triazol-1-yl)but-2-yn-1-amine
CID 130118690
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triazol-1-ylmethylphosphane?
The IUPAC name of 1,2,4-triazol-1-ylmethylphosphane (CID 67877171) is 1,2,4-triazol-1-ylmethylphosphane.
What is the SMILES notation for 1,2,4-triazol-1-ylmethylphosphane?
The canonical SMILES for 1,2,4-triazol-1-ylmethylphosphane is PCn1cncn1.
What is the InChIKey of 1,2,4-triazol-1-ylmethylphosphane?
The InChIKey is CSUZBJTWLMWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N3P/c7-3-6-2-4-1-5-6/h1-2H,3,7H2.
What are the key properties of 1,2,4-triazol-1-ylmethylphosphane?
1,2,4-triazol-1-ylmethylphosphane has a molecular weight of 115.08 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triazol-1-ylmethylphosphane is sourced from PubChem (CID 67877171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).