N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide

C7H9N11O3 — CID 4694736

IUPACN-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H9N11O3/c1-4(3-17-13-7(12-16-17)18(20)21)8-11-6(19)2-5-9-14-15-10-5/h2-3H2,1H3,(H,11,19)(H,9,10,14,15)
InChIKeyIERPEEKZXXXHKB-UHFFFAOYSA-N
MW295.22 g/mol
LogP-2.17
Rot. Bonds6

About N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide

N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 4694736) has the molecular formula C7H9N11O3 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID4694736
Molecular FormulaC7H9N11O3
Molecular Weight295.22 g/mol
Exact Mass295.09
IUPAC NameN-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H9N11O3/c1-4(3-17-13-7(12-16-17)18(20)21)8-11-6(19)2-5-9-14-15-10-5/h2-3H2,1H3,(H,11,19)(H,9,10,14,15)
InChIKeyIERPEEKZXXXHKB-UHFFFAOYSA-N
XLogP-2.17
TPSA182.66 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.22
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-phenylacetamide
CID 5341365
4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 6326556
4-methyl-N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 576935
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide
CID 674613
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]acetamide
CID 3278642
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]thiophene-2-carboxamide
CID 5091388
3,5-dimethoxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 6386185
3,5-dimethoxy-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 6162750
[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] N-(4-chlorophenyl)carbamate
CID 1240543
[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] N-(4-chlorophenyl)carbamate
CID 5457168
2-cyano-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide
CID 6303006
2-(4-nitrophenoxy)-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]acetamide
CID 3278643

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide (CID 4694736) is N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide is CC(Cn1nnc([N+](=O)[O-])n1)=NNC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is IERPEEKZXXXHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N11O3/c1-4(3-17-13-7(12-16-17)18(20)21)8-11-6(19)2-5-9-14-15-10-5/h2-3H2,1H3,(H,11,19)(H,9,10,14,15).
What are the key properties of N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide?
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 295.22 g/mol, XLogP of -2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 4694736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).