N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide

C8H8N6O4 — CID 1299980

IUPACN-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C8H8N6O4/c1-2-13-11-8(10-12-13)9-7(15)5-3-4-6(18-5)14(16)17/h3-4H,2H2,1H3,(H,9,11,15)
InChIKeyYRTAACQWZGOVPA-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.45
Rot. Bonds4

About N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide

N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide (PubChem CID 1299980) has the molecular formula C8H8N6O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide
PubChem CID1299980
Molecular FormulaC8H8N6O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC NameN-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide
SMILESCCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C8H8N6O4/c1-2-13-11-8(10-12-13)9-7(15)5-3-4-6(18-5)14(16)17/h3-4H,2H2,1H3,(H,9,11,15)
InChIKeyYRTAACQWZGOVPA-UHFFFAOYSA-N
XLogP0.45
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-(2-ethyltetrazol-5-yl)furan-2-carboxamide
CID 1091684
5-Nitro-N-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 44030060
N-(2-butyl-2H-tetrazol-5-yl)-2-furamide
CID 2219054
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 41709750
5-nitro-N-[5-(undecylamino)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5495939
N-[5-(Cycloheptylamino)-1,3,4-thiadiazol-2-yl]-5-nitro-2-furamide
CID 5495941
N-(5-{[3-(Cyclohexylamino)propyl]amino}-1,3,4-thiadiazol-2-yl)-5-nitro-2-furamide
CID 5495942
5-nitro-N-[5-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5495950
N-{5-[(Cyclohexylmethyl)amino]-1,3,4-thiadiazol-2-yl}-5-nitro-2-furamide
CID 5495958
5-nitro-N-[5-(phenethylamino)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5495969
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 1416221

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide (CID 1299980) is N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide is CCn1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is YRTAACQWZGOVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O4/c1-2-13-11-8(10-12-13)9-7(15)5-3-4-6(18-5)14(16)17/h3-4H,2H2,1H3,(H,9,11,15).
What are the key properties of N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide?
N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 252.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 1299980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).