4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide

C11H11N7O4 — CID 6326556

IUPAC4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
SMILESC/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H11N7O4/c1-7(6-17-15-11(14-16-17)18(21)22)12-13-10(20)8-2-4-9(19)5-3-8/h2-5,19H,6H2,1H3,(H,13,20)/b12-7-
InChIKeyXZAYZAQTAXJVOT-GHXNOFRVSA-N
MW305.25 g/mol
LogP0.09
Rot. Bonds5

About 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide

4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide (PubChem CID 6326556) has the molecular formula C11H11N7O4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
PubChem CID6326556
Molecular FormulaC11H11N7O4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Name4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
SMILESC/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H11N7O4/c1-7(6-17-15-11(14-16-17)18(21)22)12-13-10(20)8-2-4-9(19)5-3-8/h2-5,19H,6H2,1H3,(H,13,20)/b12-7-
InChIKeyXZAYZAQTAXJVOT-GHXNOFRVSA-N
XLogP0.09
TPSA148.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

4-methyl-N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide
CID 576935
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
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]thiophene-2-carboxamide
CID 5091388
N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-phenylacetamide
CID 5341365
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-1H-indole-3-carboxamide
CID 674613
N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]-2-(2H-tetrazol-5-yl)acetamide
CID 4694736
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]acetamide
CID 3278642
[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] N-(4-chlorophenyl)carbamate
CID 5457168
[1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino] N-(4-chlorophenyl)carbamate
CID 1240543
3-methyl-N-[(E)-1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
CID 5392609
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide (CID 6326556) is 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide is C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide?
The InChIKey is XZAYZAQTAXJVOT-GHXNOFRVSA-N. The full InChI is InChI=1S/C11H11N7O4/c1-7(6-17-15-11(14-16-17)18(21)22)12-13-10(20)8-2-4-9(19)5-3-8/h2-5,19H,6H2,1H3,(H,13,20)/b12-7-.
What are the key properties of 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide?
4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide has a molecular weight of 305.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]benzamide is sourced from PubChem (CID 6326556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).