(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide

C7H15N5O — CID 166871978

IUPAC(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide
SMILESCNC(=O)/C(N)=C1\CNCCN1N
InChIInChI=1S/C7H15N5O/c1-10-7(13)6(8)5-4-11-2-3-12(5)9/h11H,2-4,8-9H2,1H3,(H,10,13)/b6-5-
InChIKeyMBRTXLSOGWWRDS-WAYWQWQTSA-N
MW185.23 g/mol
LogP-2.32
Rot. Bonds1

About (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide

(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide (PubChem CID 166871978) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide
PubChem CID166871978
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide
SMILESCNC(=O)/C(N)=C1\CNCCN1N
InChIInChI=1S/C7H15N5O/c1-10-7(13)6(8)5-4-11-2-3-12(5)9/h11H,2-4,8-9H2,1H3,(H,10,13)/b6-5-
InChIKeyMBRTXLSOGWWRDS-WAYWQWQTSA-N
XLogP-2.32
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide?
The IUPAC name of (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide (CID 166871978) is (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide.
What is the SMILES notation for (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide?
The canonical SMILES for (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide is CNC(=O)/C(N)=C1\CNCCN1N.
What is the InChIKey of (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide?
The InChIKey is MBRTXLSOGWWRDS-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H15N5O/c1-10-7(13)6(8)5-4-11-2-3-12(5)9/h11H,2-4,8-9H2,1H3,(H,10,13)/b6-5-.
What are the key properties of (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide?
(2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide has a molecular weight of 185.23 g/mol, XLogP of -2.32, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-2-(1-aminopiperazin-2-ylidene)-N-methylacetamide is sourced from PubChem (CID 166871978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).