3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid

C14H17N5O3 — CID 120520061

IUPAC3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H17N5O3/c1-10(2)18(6-5-13(20)21)14(22)11-3-4-12(16-7-11)19-9-15-8-17-19/h3-4,7-10H,5-6H2,1-2H3,(H,20,21)
InChIKeyGAGNMCZSTIXHTF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.99
Rot. Bonds6

About 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid

3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid (PubChem CID 120520061) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
PubChem CID120520061
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H17N5O3/c1-10(2)18(6-5-13(20)21)14(22)11-3-4-12(16-7-11)19-9-15-8-17-19/h3-4,7-10H,5-6H2,1-2H3,(H,20,21)
InChIKeyGAGNMCZSTIXHTF-UHFFFAOYSA-N
XLogP0.99
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[ethyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 61006798
methyl 3-[methyl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoate
CID 61030580
N-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 55027908
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 167869416
N-(2-methylpropyl)-N-propan-2-yl-4-(1,2,4-triazol-1-yl)benzamide
CID 23588515
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112809661
3-[(1-phenyl-1,2,4-triazole-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519981

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid (CID 120520061) is 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is GAGNMCZSTIXHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10(2)18(6-5-13(20)21)14(22)11-3-4-12(16-7-11)19-9-15-8-17-19/h3-4,7-10H,5-6H2,1-2H3,(H,20,21).
What are the key properties of 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid?
3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 303.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120520061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).