2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide

C11H17N9O — CID 948145

IUPAC2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCCn1nc(C)c(C=NNC(=O)Cn2nnc(N)n2)c1C
InChIInChI=1S/C11H17N9O/c1-4-19-8(3)9(7(2)16-19)5-13-14-10(21)6-20-17-11(12)15-18-20/h5H,4,6H2,1-3H3,(H2,12,17)(H,14,21)
InChIKeyMMHVAAONWZWEGH-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.76
Rot. Bonds5

About 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 948145) has the molecular formula C11H17N9O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID948145
Molecular FormulaC11H17N9O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCCn1nc(C)c(C=NNC(=O)Cn2nnc(N)n2)c1C
InChIInChI=1S/C11H17N9O/c1-4-19-8(3)9(7(2)16-19)5-13-14-10(21)6-20-17-11(12)15-18-20/h5H,4,6H2,1-3H3,(H2,12,17)(H,14,21)
InChIKeyMMHVAAONWZWEGH-UHFFFAOYSA-N
XLogP-0.76
TPSA128.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide (CID 948145) is 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide is CCn1nc(C)c(C=NNC(=O)Cn2nnc(N)n2)c1C.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is MMHVAAONWZWEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-4-19-8(3)9(7(2)16-19)5-13-14-10(21)6-20-17-11(12)15-18-20/h5H,4,6H2,1-3H3,(H2,12,17)(H,14,21).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 291.32 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 948145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).