2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C9H10N8O — CID 6884557

IUPAC2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESNc1nnnn1CC(=O)N/N=C/c1cccnc1
InChIInChI=1S/C9H10N8O/c10-9-14-15-16-17(9)6-8(18)13-12-5-7-2-1-3-11-4-7/h1-5H,6H2,(H,13,18)(H2,10,14,16)/b12-5+
InChIKeyJOXRNVUSLHKHKI-LFYBBSHMSA-N
MW246.23 g/mol
LogP-1.20
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6884557) has the molecular formula C9H10N8O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6884557
Molecular FormulaC9H10N8O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESNc1nnnn1CC(=O)N/N=C/c1cccnc1
InChIInChI=1S/C9H10N8O/c10-9-14-15-16-17(9)6-8(18)13-12-5-7-2-1-3-11-4-7/h1-5H,6H2,(H,13,18)(H2,10,14,16)/b12-5+
InChIKeyJOXRNVUSLHKHKI-LFYBBSHMSA-N
XLogP-1.20
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(5-aminotetrazol-1-yl)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 5334953
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126202012
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(5-aminotetrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 947960
N-[(Z)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424330
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,3-difluorophenyl)methylideneamino]acetamide
CID 5392623
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 2730075
3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide
CID 742331
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 948077
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6884557) is 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is Nc1nnnn1CC(=O)N/N=C/c1cccnc1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is JOXRNVUSLHKHKI-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10N8O/c10-9-14-15-16-17(9)6-8(18)13-12-5-7-2-1-3-11-4-7/h1-5H,6H2,(H,13,18)(H2,10,14,16)/b12-5+.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 246.23 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6884557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).