(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide

C9H16N6O — CID 166884819

IUPAC(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide
SMILES[H]/N=C(\N)C[C@@H](N)C(=O)NCCn1cccn1
InChIInChI=1S/C9H16N6O/c10-7(6-8(11)12)9(16)13-3-5-15-4-1-2-14-15/h1-2,4,7H,3,5-6,10H2,(H3,11,12)(H,13,16)/t7-/m1/s1
InChIKeyGVIBUFHLUVKXPV-SSDOTTSWSA-N
MW224.27 g/mol
LogP-1.35
Rot. Bonds6

About (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide

(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide (PubChem CID 166884819) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide
PubChem CID166884819
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide
SMILES[H]/N=C(\N)C[C@@H](N)C(=O)NCCn1cccn1
InChIInChI=1S/C9H16N6O/c10-7(6-8(11)12)9(16)13-3-5-15-4-1-2-14-15/h1-2,4,7H,3,5-6,10H2,(H3,11,12)(H,13,16)/t7-/m1/s1
InChIKeyGVIBUFHLUVKXPV-SSDOTTSWSA-N
XLogP-1.35
TPSA122.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
3-[methyl(2-pyrazol-1-ylethyl)amino]propanimidamide
CID 61491625
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
CID 56828866
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide?
The IUPAC name of (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide (CID 166884819) is (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide.
What is the SMILES notation for (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide?
The canonical SMILES for (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide is [H]/N=C(\N)C[C@@H](N)C(=O)NCCn1cccn1.
What is the InChIKey of (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide?
The InChIKey is GVIBUFHLUVKXPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N6O/c10-7(6-8(11)12)9(16)13-3-5-15-4-1-2-14-15/h1-2,4,7H,3,5-6,10H2,(H3,11,12)(H,13,16)/t7-/m1/s1.
What are the key properties of (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide?
(2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide has a molecular weight of 224.27 g/mol, XLogP of -1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-4-imino-N-(2-pyrazol-1-ylethyl)butanamide is sourced from PubChem (CID 166884819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).