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

C10H14N4O3 — CID 55245208

IUPAC2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C10H14N4O3/c15-8(16)4-7-2-1-3-14(5-7)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,15,16)(H,11,12,13)
InChIKeyIRGXHUQRMZNBSS-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.13
Rot. Bonds3

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

2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 55245208) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid
PubChem CID55245208
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2ncn[nH]2)C1
InChIInChI=1S/C10H14N4O3/c15-8(16)4-7-2-1-3-14(5-7)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,15,16)(H,11,12,13)
InChIKeyIRGXHUQRMZNBSS-UHFFFAOYSA-N
XLogP0.13
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid (CID 55245208) is 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2ncn[nH]2)C1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is IRGXHUQRMZNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8(16)4-7-2-1-3-14(5-7)10(17)9-11-6-12-13-9/h6-7H,1-5H2,(H,15,16)(H,11,12,13).
What are the key properties of 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 238.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 55245208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).