2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid

C10H9N3O2 — CID 102338451

IUPAC2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid
SMILES[2H]c1c(-c2ccccc2)nnn1CC(=O)O
InChIInChI=1S/C10H9N3O2/c14-10(15)7-13-6-9(11-12-13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/i6D
InChIKeySRXSKSFFMPPQEU-RAMDWTOOSA-N
MW204.21 g/mol
LogP1.03
Rot. Bonds3

About 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid

2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid (PubChem CID 102338451) has the molecular formula C10H9N3O2 and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid
PubChem CID102338451
Molecular FormulaC10H9N3O2
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid
SMILES[2H]c1c(-c2ccccc2)nnn1CC(=O)O
InChIInChI=1S/C10H9N3O2/c14-10(15)7-13-6-9(11-12-13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/i6D
InChIKeySRXSKSFFMPPQEU-RAMDWTOOSA-N
XLogP1.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid?
The IUPAC name of 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid (CID 102338451) is 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid is [2H]c1c(-c2ccccc2)nnn1CC(=O)O.
What is the InChIKey of 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid?
The InChIKey is SRXSKSFFMPPQEU-RAMDWTOOSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)7-13-6-9(11-12-13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)/i6D.
What are the key properties of 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid?
2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid has a molecular weight of 204.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-deuterio-4-phenyltriazol-1-yl)acetic acid is sourced from PubChem (CID 102338451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).