2-amino-4-(1,2,4-triazol-1-yl)butanoic acid

C6H10N4O2 — CID 63040502

IUPAC2-amino-4-(1,2,4-triazol-1-yl)butanoic acid
SMILESNC(CCn1cncn1)C(=O)O
InChIInChI=1S/C6H10N4O2/c7-5(6(11)12)1-2-10-4-8-3-9-10/h3-5H,1-2,7H2,(H,11,12)
InChIKeySFUYLUICPNWHJH-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.92
Rot. Bonds4

About 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid

2-amino-4-(1,2,4-triazol-1-yl)butanoic acid (PubChem CID 63040502) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(1,2,4-triazol-1-yl)butanoic acid
PubChem CID63040502
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-amino-4-(1,2,4-triazol-1-yl)butanoic acid
SMILESNC(CCn1cncn1)C(=O)O
InChIInChI=1S/C6H10N4O2/c7-5(6(11)12)1-2-10-4-8-3-9-10/h3-5H,1-2,7H2,(H,11,12)
InChIKeySFUYLUICPNWHJH-UHFFFAOYSA-N
XLogP-0.92
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid (CID 63040502) is 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid is NC(CCn1cncn1)C(=O)O.
What is the InChIKey of 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid?
The InChIKey is SFUYLUICPNWHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-5(6(11)12)1-2-10-4-8-3-9-10/h3-5H,1-2,7H2,(H,11,12).
What are the key properties of 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid?
2-amino-4-(1,2,4-triazol-1-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,2,4-triazol-1-yl)butanoic acid is sourced from PubChem (CID 63040502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).