N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide

C10H10N6O3 — CID 135933691

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C10H10N6O3/c17-8-2-1-7(9(18)3-8)4-11-13-10(19)5-16-6-12-14-15-16/h1-4,6,17-18H,5H2,(H,13,19)/b11-4-
InChIKeyNHADGJUCCDJRDD-WCIBSUBMSA-N
MW262.23 g/mol
LogP-0.77
Rot. Bonds4

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide (PubChem CID 135933691) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide
PubChem CID135933691
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C10H10N6O3/c17-8-2-1-7(9(18)3-8)4-11-13-10(19)5-16-6-12-14-15-16/h1-4,6,17-18H,5H2,(H,13,19)/b11-4-
InChIKeyNHADGJUCCDJRDD-WCIBSUBMSA-N
XLogP-0.77
TPSA125.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide
CID 135752062
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3762135
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]dodecanediamide
CID 3615111
N,N'-bis[(2,4-dihydroxyphenyl)methylideneamino]octanediamide
CID 4632012
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
CID 135781995
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide
CID 6030285
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 135614243
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide (CID 135933691) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide?
The InChIKey is NHADGJUCCDJRDD-WCIBSUBMSA-N. The full InChI is InChI=1S/C10H10N6O3/c17-8-2-1-7(9(18)3-8)4-11-13-10(19)5-16-6-12-14-15-16/h1-4,6,17-18H,5H2,(H,13,19)/b11-4-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide has a molecular weight of 262.23 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 135933691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).