2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C10H11N7O2 — CID 135603302

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C10H11N7O2/c11-10-14-16-17(15-10)6-9(19)13-12-5-7-1-3-8(18)4-2-7/h1-5,18H,6H2,(H2,11,15)(H,13,19)/b12-5+
InChIKeyBNXCCMJVBWHYGP-LFYBBSHMSA-N
MW261.25 g/mol
LogP-0.89
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135603302) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135603302
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C10H11N7O2/c11-10-14-16-17(15-10)6-9(19)13-12-5-7-1-3-8(18)4-2-7/h1-5,18H,6H2,(H2,11,15)(H,13,19)/b12-5+
InChIKeyBNXCCMJVBWHYGP-LFYBBSHMSA-N
XLogP-0.89
TPSA131.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
2-hydroxybenzaldehyde 1H-tetrazol-5-ylhydrazone
CID 135504452
4-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
CID 135400459
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}phenol
CID 135504325
N,N'-bis[(4-hydroxyphenyl)methylideneamino]oxamide
CID 243880
3-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}phenol
CID 6858639
2-[(4-Hydroxyphenyl)methylene]hydrazinecarboxamide
CID 219823
N-[(E)-(2-hydroxyphenyl)methyleneamino]-2-[5-(1-piperidyl)tetrazol-2-yl]acetamide
CID 135493777
N'~1~,N'~2~-bis[(1E)-(4-hydroxyphenyl)methylene]ethanedihydrazide
CID 135458650
1,3-Bis[(4-hydroxyphenyl)methylideneamino]urea
CID 241429
4-[(1E)-2-(1H-1,2,3,4-tetraazol-5-ylamino)-2-azavinyl]benzene-1,2-diol
CID 135690684

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135603302) is 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is Nc1nnn(CC(=O)N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is BNXCCMJVBWHYGP-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-10-14-16-17(15-10)6-9(19)13-12-5-7-1-3-8(18)4-2-7/h1-5,18H,6H2,(H2,11,15)(H,13,19)/b12-5+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 261.25 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135603302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).