4-[(5-aminopyrazin-2-yl)amino]butanamide

C8H13N5O — CID 80652340

IUPAC4-[(5-aminopyrazin-2-yl)amino]butanamide
SMILESNC(=O)CCCNc1cnc(N)cn1
InChIInChI=1S/C8H13N5O/c9-6-4-13-8(5-12-6)11-3-1-2-7(10)14/h4-5H,1-3H2,(H2,9,12)(H2,10,14)(H,11,13)
InChIKeyYHLVWMNRCYDRDK-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.26
Rot. Bonds5

About 4-[(5-aminopyrazin-2-yl)amino]butanamide

4-[(5-aminopyrazin-2-yl)amino]butanamide (PubChem CID 80652340) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-[(5-aminopyrazin-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(5-aminopyrazin-2-yl)amino]butanamide
PubChem CID80652340
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name4-[(5-aminopyrazin-2-yl)amino]butanamide
SMILESNC(=O)CCCNc1cnc(N)cn1
InChIInChI=1S/C8H13N5O/c9-6-4-13-8(5-12-6)11-3-1-2-7(10)14/h4-5H,1-3H2,(H2,9,12)(H2,10,14)(H,11,13)
InChIKeyYHLVWMNRCYDRDK-UHFFFAOYSA-N
XLogP-0.26
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(5-aminopyrazin-2-yl)amino]butanoate
CID 80653247
6-[(5-aminopyrazin-2-yl)amino]hexan-1-ol
CID 107855093
ethyl 3-[(5-aminopyrazin-2-yl)amino]propanoate
CID 80653355
2-N-hexylpyrazine-2,5-diamine
CID 80652876
2-N-octylpyrazine-2,5-diamine
CID 115565252
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
CID 115523020
2-N-(2-methylsulfonylethyl)pyrazine-2,5-diamine
CID 80653348
5-[(4-amino-5-methyl-2-pyridinyl)amino]pentanamide
CID 106234120
3-[(5-amino-2-pyridinyl)amino]propanamide
CID 43553393
5-[(5,6-dimethylpyrazin-2-yl)amino]pentanamide
CID 106238601
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminopyrazin-2-yl)amino]butanamide?
The IUPAC name of 4-[(5-aminopyrazin-2-yl)amino]butanamide (CID 80652340) is 4-[(5-aminopyrazin-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(5-aminopyrazin-2-yl)amino]butanamide?
The canonical SMILES for 4-[(5-aminopyrazin-2-yl)amino]butanamide is NC(=O)CCCNc1cnc(N)cn1.
What is the InChIKey of 4-[(5-aminopyrazin-2-yl)amino]butanamide?
The InChIKey is YHLVWMNRCYDRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6-4-13-8(5-12-6)11-3-1-2-7(10)14/h4-5H,1-3H2,(H2,9,12)(H2,10,14)(H,11,13).
What are the key properties of 4-[(5-aminopyrazin-2-yl)amino]butanamide?
4-[(5-aminopyrazin-2-yl)amino]butanamide has a molecular weight of 195.23 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminopyrazin-2-yl)amino]butanamide is sourced from PubChem (CID 80652340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).