N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide

C7H14N6O — CID 83036780

IUPACN-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCNC(=O)C1C
InChIInChI=1S/C7H14N6O/c1-4-5(14)11-2-3-13(4)7(10)12-6(8)9/h4H,2-3H2,1H3,(H,11,14)(H5,8,9,10,12)
InChIKeyQSLLBEBJDQYRTH-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.99
Rot. Bonds

About N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide

N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide (PubChem CID 83036780) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide
PubChem CID83036780
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC NameN-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCNC(=O)C1C
InChIInChI=1S/C7H14N6O/c1-4-5(14)11-2-3-13(4)7(10)12-6(8)9/h4H,2-3H2,1H3,(H,11,14)(H5,8,9,10,12)
InChIKeyQSLLBEBJDQYRTH-UHFFFAOYSA-N
XLogP-1.99
TPSA120.59 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-2-ethyl-3-oxopiperazine-1-carboximidamide
CID 83036781
4-acetyl-3-methylpiperazin-2-one
CID 13190467
N'-cyclopentyl-2-methyl-3-oxopiperazine-1-carboximidamide
CID 63606772
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
CID 77000593
4-(3-bromoprop-2-ynoyl)-3-methylpiperazin-2-one
CID 131062630
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
CID 63608112
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
4-ethanimidoyl-3-ethylpiperazin-2-one
CID 63603080

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide (CID 83036780) is N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCNC(=O)C1C.
What is the InChIKey of N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is QSLLBEBJDQYRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-4-5(14)11-2-3-13(4)7(10)12-6(8)9/h4H,2-3H2,1H3,(H,11,14)(H5,8,9,10,12).
What are the key properties of N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide?
N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 198.23 g/mol, XLogP of -1.99, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 83036780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).