N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide

C8H14N4O2 — CID 155561111

IUPACN-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCn1ncnc1C(=O)NO
InChIInChI=1S/C8H14N4O2/c1-2-3-4-5-12-7(8(13)11-14)9-6-10-12/h6,14H,2-5H2,1H3,(H,11,13)
InChIKeyCIFNSPZFPCLOPP-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.59
Rot. Bonds5

About N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide

N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide (PubChem CID 155561111) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
PubChem CID155561111
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCn1ncnc1C(=O)NO
InChIInChI=1S/C8H14N4O2/c1-2-3-4-5-12-7(8(13)11-14)9-6-10-12/h6,14H,2-5H2,1H3,(H,11,13)
InChIKeyCIFNSPZFPCLOPP-UHFFFAOYSA-N
XLogP0.59
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide (CID 155561111) is N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide is CCCCCn1ncnc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide?
The InChIKey is CIFNSPZFPCLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-3-4-5-12-7(8(13)11-14)9-6-10-12/h6,14H,2-5H2,1H3,(H,11,13).
What are the key properties of N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide?
N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide has a molecular weight of 198.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-pentyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155561111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).