3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate

C13H14N6O4 — CID 43039024

IUPAC3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCCCOC(=O)c1nccnc1N
InChIInChI=1S/C13H14N6O4/c14-10-8(16-2-4-18-10)12(20)22-6-1-7-23-13(21)9-11(15)19-5-3-17-9/h2-5H,1,6-7H2,(H2,14,18)(H2,15,19)
InChIKeyWHPCZEDFVRDJEO-UHFFFAOYSA-N
MW318.29 g/mol
LogP-0.17
Rot. Bonds6

About 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate

3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate (PubChem CID 43039024) has the molecular formula C13H14N6O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
PubChem CID43039024
Molecular FormulaC13H14N6O4
Molecular Weight318.29 g/mol
Exact Mass318.11
IUPAC Name3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCCCOC(=O)c1nccnc1N
InChIInChI=1S/C13H14N6O4/c14-10-8(16-2-4-18-10)12(20)22-6-1-7-23-13(21)9-11(15)19-5-3-17-9/h2-5H,1,6-7H2,(H2,14,18)(H2,15,19)
InChIKeyWHPCZEDFVRDJEO-UHFFFAOYSA-N
XLogP-0.17
TPSA156.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
CID 103714850
cyclopropylmethyl 3-aminopyrazine-2-carboxylate
CID 63259879
bis(3-aminopyrazin-2-yl)methanone
CID 155673522
(2,5-dimethylphenyl)methyl 3-aminopyrazine-2-carboxylate
CID 16594706
(2-oxo-2-piperidin-1-ylethyl) 3-aminopyrazine-2-carboxylate
CID 2687681
[2-(methylcarbamoylamino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2642796
[2-(azepan-1-yl)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2625779
3-aminopyrazine-2-carboxylate
CID 6973597
[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379743
3-amino-N,N-diethylpyrazine-2-carboxamide
CID 13141221
butyl 3-amino-6-chloropyrazine-2-carboxylate
CID 91884483
diazanium bis(3-aminopyrazine-2-carboxylate)
CID 139080956

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate (CID 43039024) is 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCCCOC(=O)c1nccnc1N.
What is the InChIKey of 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate?
The InChIKey is WHPCZEDFVRDJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O4/c14-10-8(16-2-4-18-10)12(20)22-6-1-7-23-13(21)9-11(15)19-5-3-17-9/h2-5H,1,6-7H2,(H2,14,18)(H2,15,19).
What are the key properties of 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate?
3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate has a molecular weight of 318.29 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrazine-2-carbonyl)oxypropyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 43039024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).