N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide

C8H11N5O2 — CID 12869122

IUPACN-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1C(=O)N(C)N
InChIInChI=1S/C8H11N5O2/c1-5(14)12-7-6(8(15)13(2)9)10-3-4-11-7/h3-4H,9H2,1-2H3,(H,11,12,14)
InChIKeyLOPOCESWOFOPBR-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.62
Rot. Bonds2

About N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide

N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide (PubChem CID 12869122) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide
PubChem CID12869122
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC NameN-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide
SMILESCC(=O)Nc1nccnc1C(=O)N(C)N
InChIInChI=1S/C8H11N5O2/c1-5(14)12-7-6(8(15)13(2)9)10-3-4-11-7/h3-4H,9H2,1-2H3,(H,11,12,14)
InChIKeyLOPOCESWOFOPBR-UHFFFAOYSA-N
XLogP-0.62
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamidopyrazine-2-carboxylic acid
CID 10511603
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
3-(2,2-dimethylhydrazinyl)pyrazine-2-carboxylic acid
CID 83025369
N-[4-[(3-carbamothioylpyrazin-2-yl)amino]phenyl]acetamide
CID 62683421
3-(dimethylcarbamoyl)pyrazine-2-carboxylate
CID 121238753
N-methylpyridine-2-carbohydrazide
CID 45084309
3-acetamido-N-(diaminomethylidene)-6-(dimethylamino)pyrazine-2-carboxamide
CID 161207046
3-[2-(dimethylamino)ethylamino]pyrazine-2-carboxylic acid
CID 62711461
3-(propan-2-yloxycarbonylamino)pyrazine-2-carboxylic acid
CID 63259868
3-(2-aminopropylamino)pyrazine-2-carboxamide
CID 63732548
2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid
CID 62684494
3-[(1-amino-3-methylbutan-2-yl)amino]pyrazine-2-carboxamide
CID 65193004

Frequently Asked Questions

What is the IUPAC name of N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide?
The IUPAC name of N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide (CID 12869122) is N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide is CC(=O)Nc1nccnc1C(=O)N(C)N.
What is the InChIKey of N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide?
The InChIKey is LOPOCESWOFOPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-5(14)12-7-6(8(15)13(2)9)10-3-4-11-7/h3-4H,9H2,1-2H3,(H,11,12,14).
What are the key properties of N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide?
N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide has a molecular weight of 209.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[amino(methyl)carbamoyl]pyrazin-2-yl]acetamide is sourced from PubChem (CID 12869122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).