5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid

C12H13N5O3 — CID 60941239

IUPAC5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H13N5O3/c18-11(2-1-3-12(19)20)16-9-4-5-10(14-6-9)17-8-13-7-15-17/h4-8H,1-3H2,(H,16,18)(H,19,20)
InChIKeyNCJVLOZLCCYRAP-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.86
Rot. Bonds6

About 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid

5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid (PubChem CID 60941239) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
PubChem CID60941239
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H13N5O3/c18-11(2-1-3-12(19)20)16-9-4-5-10(14-6-9)17-8-13-7-15-17/h4-8H,1-3H2,(H,16,18)(H,19,20)
InChIKeyNCJVLOZLCCYRAP-UHFFFAOYSA-N
XLogP0.86
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318
3-[[(E)-2-phenylethenyl]sulfonylamino]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 30854792
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
4-(4-cyano-2-methoxyphenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 55718903
(Z)-3-methyl-5-phenyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pent-2-enamide
CID 97462637
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 25342750
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
2-(4-bromo-2-methylphenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 25343377
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
5-[3-chloro-2-(1,2,4-triazol-1-yl)anilino]-5-oxopentanoic acid
CID 60940339

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid (CID 60941239) is 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid?
The InChIKey is NCJVLOZLCCYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-11(2-1-3-12(19)20)16-9-4-5-10(14-6-9)17-8-13-7-15-17/h4-8H,1-3H2,(H,16,18)(H,19,20).
What are the key properties of 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid?
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid has a molecular weight of 275.27 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 60941239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).