5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide

C12H24N5O4P — CID 10711685

IUPAC5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide
SMILESCCOP(=O)(CCCCCn1nnc(C(N)=O)c1N)OCC
InChIInChI=1S/C12H24N5O4P/c1-3-20-22(19,21-4-2)9-7-5-6-8-17-11(13)10(12(14)18)15-16-17/h3-9,13H2,1-2H3,(H2,14,18)
InChIKeyBMFOBPNTWPTLEZ-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.40
Rot. Bonds11

About 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide

5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide (PubChem CID 10711685) has the molecular formula C12H24N5O4P and a molecular weight of 333.33 g/mol. Its IUPAC name is 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide
PubChem CID10711685
Molecular FormulaC12H24N5O4P
Molecular Weight333.33 g/mol
Exact Mass333.16
IUPAC Name5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide
SMILESCCOP(=O)(CCCCCn1nnc(C(N)=O)c1N)OCC
InChIInChI=1S/C12H24N5O4P/c1-3-20-22(19,21-4-2)9-7-5-6-8-17-11(13)10(12(14)18)15-16-17/h3-9,13H2,1-2H3,(H2,14,18)
InChIKeyBMFOBPNTWPTLEZ-UHFFFAOYSA-N
XLogP1.40
TPSA135.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide (CID 10711685) is 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide is CCOP(=O)(CCCCCn1nnc(C(N)=O)c1N)OCC.
What is the InChIKey of 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide?
The InChIKey is BMFOBPNTWPTLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N5O4P/c1-3-20-22(19,21-4-2)9-7-5-6-8-17-11(13)10(12(14)18)15-16-17/h3-9,13H2,1-2H3,(H2,14,18).
What are the key properties of 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide?
5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide has a molecular weight of 333.33 g/mol, XLogP of 1.40, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-diethoxyphosphorylpentyl)triazole-4-carboxamide is sourced from PubChem (CID 10711685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).