N-hydroxy-2-methyltriazole-4-carboxamide

C4H6N4O2 — CID 137244792

IUPACN-hydroxy-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NO)n1
InChIInChI=1S/C4H6N4O2/c1-8-5-2-3(6-8)4(9)7-10/h2,10H,1H3,(H,7,9)
InChIKeyDJDBJWPWASUKBS-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.07
Rot. Bonds1

About N-hydroxy-2-methyltriazole-4-carboxamide

N-hydroxy-2-methyltriazole-4-carboxamide (PubChem CID 137244792) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is N-hydroxy-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-methyltriazole-4-carboxamide
PubChem CID137244792
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC NameN-hydroxy-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NO)n1
InChIInChI=1S/C4H6N4O2/c1-8-5-2-3(6-8)4(9)7-10/h2,10H,1H3,(H,7,9)
InChIKeyDJDBJWPWASUKBS-UHFFFAOYSA-N
XLogP-1.07
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1H-1,2,3-triazole-4-carboxamide
CID 13388323
1-Fluorotriazole-4-carboxamide
CID 89131273
2-(3,3,3-Trifluoropropyl)triazole-4-carboxamide
CID 168153939
2-(3-Fluoropropyl)triazole-4-carboxamide
CID 175864424
2-(2,2,2-Trifluoroethyl)triazole-4-carboxamide
CID 175864477
Nitro-1,2,3-triazol-4-ylcarbaldehyde
CID 129739551
N-(2,2,2-trifluoroethoxy)-2H-triazole-4-carboxamide
CID 81339764
2-(2,2-difluoroethyl)-2H-1,2,3-triazole-4-carboxamide
CID 162540520
N-oxo-2H-triazole-4-carboxamide
CID 54323987
2-Methyl-2h-1,2,3-triazole-4-carboxamide
CID 55284237
N-ethoxy-2H-triazole-4-carboxamide
CID 61071491
N-methoxy-1h-1,2,3-triazole-5-carboxamide
CID 61071492

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyltriazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-methyltriazole-4-carboxamide (CID 137244792) is N-hydroxy-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NO)n1.
What is the InChIKey of N-hydroxy-2-methyltriazole-4-carboxamide?
The InChIKey is DJDBJWPWASUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-8-5-2-3(6-8)4(9)7-10/h2,10H,1H3,(H,7,9).
What are the key properties of N-hydroxy-2-methyltriazole-4-carboxamide?
N-hydroxy-2-methyltriazole-4-carboxamide has a molecular weight of 142.12 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 137244792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).