N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

C7H9N5O3 — CID 1519141

IUPACN-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESC1CC1NC(=O)CN2C=NC(=N2)[N+](=O)[O-]
InChIInChI=1S/C7H9N5O3/c13-6(9-5-1-2-5)3-11-4-8-7(10-11)12(14)15/h4-5H,1-3H2,(H,9,13)
InChIKeyAKSADRHJFBOBBF-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.40
Rot. Bonds3

About N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (PubChem CID 1519141) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
PubChem CID1519141
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC NameN-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILESC1CC1NC(=O)CN2C=NC(=N2)[N+](=O)[O-]
InChIInChI=1S/C7H9N5O3/c13-6(9-5-1-2-5)3-11-4-8-7(10-11)12(14)15/h4-5H,1-3H2,(H,9,13)
InChIKeyAKSADRHJFBOBBF-UHFFFAOYSA-N
XLogP-0.40
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-Butyl-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide
CID 611278
2-(3-Nitro-[1,2,4]triazol-1-yl)-N-propyl-acetamide
CID 3104817
N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3104818
N-cyclopentyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 686144
2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}ethyl nitrate
CID 3644089
N-cyclopropyl-2-(tetrazol-1-yl)acetamide
CID 4134847
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
N-cyclopropyl-2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanamide
CID 15077079
2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 1276712
2-(3-Nitro-1H-1,2,4-triazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 71425083

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CID 1519141) is N-cyclopropyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is C1CC1NC(=O)CN2C=NC(=N2)[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The InChIKey is AKSADRHJFBOBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3/c13-6(9-5-1-2-5)3-11-4-8-7(10-11)12(14)15/h4-5H,1-3H2,(H,9,13).
What are the key properties of N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 1519141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).