2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide

C10H12N8O — CID 6884580

IUPAC2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cn2nnnc2N)n1
InChIInChI=1S/C10H12N8O/c1-7-3-2-4-8(13-7)5-12-14-9(19)6-18-10(11)15-16-17-18/h2-5H,6H2,1H3,(H,14,19)(H2,11,15,17)/b12-5+
InChIKeyPPWVCBCEIRQNFW-LFYBBSHMSA-N
MW260.26 g/mol
LogP-0.89
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide

2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide (PubChem CID 6884580) has the molecular formula C10H12N8O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
PubChem CID6884580
Molecular FormulaC10H12N8O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cn2nnnc2N)n1
InChIInChI=1S/C10H12N8O/c1-7-3-2-4-8(13-7)5-12-14-9(19)6-18-10(11)15-16-17-18/h2-5H,6H2,1H3,(H,14,19)(H2,11,15,17)/b12-5+
InChIKeyPPWVCBCEIRQNFW-LFYBBSHMSA-N
XLogP-0.89
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.89
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide (CID 6884580) is 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide is Cc1cccc(/C=N/NC(=O)Cn2nnnc2N)n1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
The InChIKey is PPWVCBCEIRQNFW-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H12N8O/c1-7-3-2-4-8(13-7)5-12-14-9(19)6-18-10(11)15-16-17-18/h2-5H,6H2,1H3,(H,14,19)(H2,11,15,17)/b12-5+.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]acetamide has a molecular weight of 260.26 g/mol, XLogP of -0.89, 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)-(6-methyl-2-pyridinyl)methylideneamino]acetamide is sourced from PubChem (CID 6884580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).