6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid

C11H16N4O3 — CID 113410686

IUPAC6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
SMILESCC(C)NC(=O)CCNc1cncc(C(=O)O)n1
InChIInChI=1S/C11H16N4O3/c1-7(2)14-10(16)3-4-13-9-6-12-5-8(15-9)11(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyUUYZMEMPHGAONJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.50
Rot. Bonds6

About 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid

6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid (PubChem CID 113410686) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
PubChem CID113410686
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid
SMILESCC(C)NC(=O)CCNc1cncc(C(=O)O)n1
InChIInChI=1S/C11H16N4O3/c1-7(2)14-10(16)3-4-13-9-6-12-5-8(15-9)11(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyUUYZMEMPHGAONJ-UHFFFAOYSA-N
XLogP0.50
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pterin-6-Carboxylic Acid
CID 135403803
2-Amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid
CID 135460042
6-Aminopyrazine-2-carboxylic acid
CID 12295729
5-Aminopyrazine-2-carboxylic acid
CID 21897334
2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetic acid
CID 136846152
Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
Hypnosin
CID 10511603
6-(Methylamino)pyrazine-2-carboxylic acid
CID 818291
6-(Dimethylamino)pyrazine-2-carboxylic acid
CID 1282536
3-((Tert-butoxycarbonyl)amino)pyrazine-2-carboxylic acid
CID 20623657
3-(Methylamino)pyrazine-2-carboxylic acid
CID 20699543
5-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}pyrazine-2-carboxylic acid
CID 45789761

Frequently Asked Questions

What is the IUPAC name of 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid (CID 113410686) is 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid is CC(C)NC(=O)CCNc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is UUYZMEMPHGAONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(2)14-10(16)3-4-13-9-6-12-5-8(15-9)11(17)18/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid?
6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 113410686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).