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

C9H13N9O — CID 1387159

IUPAC2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1nn(C)cc1C=NNC(=O)Cn1nnc(N)n1
InChIInChI=1S/C9H13N9O/c1-6-7(4-17(2)14-6)3-11-12-8(19)5-18-15-9(10)13-16-18/h3-4H,5H2,1-2H3,(H2,10,15)(H,12,19)
InChIKeyNODVJFQHCMROKP-UHFFFAOYSA-N
MW263.26 g/mol
LogP-1.55
Rot. Bonds4

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

2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide (PubChem CID 1387159) has the molecular formula C9H13N9O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
PubChem CID1387159
Molecular FormulaC9H13N9O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
SMILESCc1nn(C)cc1C=NNC(=O)Cn1nnc(N)n1
InChIInChI=1S/C9H13N9O/c1-6-7(4-17(2)14-6)3-11-12-8(19)5-18-15-9(10)13-16-18/h3-4H,5H2,1-2H3,(H2,10,15)(H,12,19)
InChIKeyNODVJFQHCMROKP-UHFFFAOYSA-N
XLogP-1.55
TPSA128.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-1.55
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-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide (CID 1387159) is 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide is Cc1nn(C)cc1C=NNC(=O)Cn1nnc(N)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is NODVJFQHCMROKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9O/c1-6-7(4-17(2)14-6)3-11-12-8(19)5-18-15-9(10)13-16-18/h3-4H,5H2,1-2H3,(H2,10,15)(H,12,19).
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 263.26 g/mol, XLogP of -1.55, 4 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-[(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 1387159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).