2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide

C10H10N6O3 — CID 699587

IUPAC2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1nnnn1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N6O3/c1-7-12-13-14-15(7)6-10(17)11-8-3-2-4-9(5-8)16(18)19/h2-5H,6H2,1H3,(H,11,17)
InChIKeyKVBZJWKHBSMHBT-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.53
Rot. Bonds4

About 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide

2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 699587) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide
PubChem CID699587
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1nnnn1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N6O3/c1-7-12-13-14-15(7)6-10(17)11-8-3-2-4-9(5-8)16(18)19/h2-5H,6H2,1H3,(H,11,17)
InChIKeyKVBZJWKHBSMHBT-UHFFFAOYSA-N
XLogP0.53
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide (CID 699587) is 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide is Cc1nnnn1CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is KVBZJWKHBSMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c1-7-12-13-14-15(7)6-10(17)11-8-3-2-4-9(5-8)16(18)19/h2-5H,6H2,1H3,(H,11,17).
What are the key properties of 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide?
2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 699587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).