2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid

C13H15N5O3 — CID 107338905

IUPAC2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCC(C)c1nc(C(=O)Nc2ccc(CC(=O)O)nc2)n[nH]1
InChIInChI=1S/C13H15N5O3/c1-7(2)11-16-12(18-17-11)13(21)15-9-4-3-8(14-6-9)5-10(19)20/h3-4,6-7H,5H2,1-2H3,(H,15,21)(H,19,20)(H,16,17,18)
InChIKeyVGTSAXSIEUSXAX-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.20
Rot. Bonds5

About 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107338905) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107338905
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCC(C)c1nc(C(=O)Nc2ccc(CC(=O)O)nc2)n[nH]1
InChIInChI=1S/C13H15N5O3/c1-7(2)11-16-12(18-17-11)13(21)15-9-4-3-8(14-6-9)5-10(19)20/h3-4,6-7H,5H2,1-2H3,(H,15,21)(H,19,20)(H,16,17,18)
InChIKeyVGTSAXSIEUSXAX-UHFFFAOYSA-N
XLogP1.20
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107338905) is 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid is CC(C)c1nc(C(=O)Nc2ccc(CC(=O)O)nc2)n[nH]1.
What is the InChIKey of 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is VGTSAXSIEUSXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-7(2)11-16-12(18-17-11)13(21)15-9-4-3-8(14-6-9)5-10(19)20/h3-4,6-7H,5H2,1-2H3,(H,15,21)(H,19,20)(H,16,17,18).
What are the key properties of 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 289.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107338905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).