2-[(6-methylpyrazin-2-yl)amino]butanoic acid

C9H13N3O2 — CID 175697889

IUPAC2-[(6-methylpyrazin-2-yl)amino]butanoic acid
SMILESCCC(Nc1cncc(C)n1)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-3-7(9(13)14)12-8-5-10-4-6(2)11-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyBTCDSGRADUGZJH-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.06
Rot. Bonds4

About 2-[(6-methylpyrazin-2-yl)amino]butanoic acid

2-[(6-methylpyrazin-2-yl)amino]butanoic acid (PubChem CID 175697889) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(6-methylpyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-methylpyrazin-2-yl)amino]butanoic acid
PubChem CID175697889
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(6-methylpyrazin-2-yl)amino]butanoic acid
SMILESCCC(Nc1cncc(C)n1)C(=O)O
InChIInChI=1S/C9H13N3O2/c1-3-7(9(13)14)12-8-5-10-4-6(2)11-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyBTCDSGRADUGZJH-UHFFFAOYSA-N
XLogP1.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-Amino-5-carbamimidoylpyrazin-2-yl)amino]acetic acid
CID 70683232
2-[[6-amino-5-[(Z)-N'-hydroxycarbamimidoyl]pyrazin-2-yl]amino]acetic acid
CID 136264091
6-(Ethylamino)pyrazine-2-carboxylic acid
CID 14500876
4-[(3,5-Dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid
CID 2800619
3-(Propan-2-ylamino)pyrazine-2-carboxylic acid
CID 62710090
5-(Ethylamino)pyrazine-2-carboxylic acid
CID 64271678
3-Amino-5-(isopropylamino)pyrazine-2-carboxylic acid
CID 68817225
3-(Propylamino)pyrazine-2-carboxylic acid
CID 62709751
3-(2-Methylpropylamino)pyrazine-2-carboxylic acid
CID 62709757
3-(Butylamino)pyrazine-2-carboxylic acid
CID 62711466
3-(Ethylamino)pyrazine-2-carboxylic acid
CID 62711970
5-(Propylamino)pyrazine-2-carboxylic acid
CID 64271670

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(6-methylpyrazin-2-yl)amino]butanoic acid (CID 175697889) is 2-[(6-methylpyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-methylpyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(6-methylpyrazin-2-yl)amino]butanoic acid is CCC(Nc1cncc(C)n1)C(=O)O.
What is the InChIKey of 2-[(6-methylpyrazin-2-yl)amino]butanoic acid?
The InChIKey is BTCDSGRADUGZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7(9(13)14)12-8-5-10-4-6(2)11-8/h4-5,7H,3H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(6-methylpyrazin-2-yl)amino]butanoic acid?
2-[(6-methylpyrazin-2-yl)amino]butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 175697889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).