2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid

C10H10N4O2 — CID 115030492

IUPAC2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid
SMILESNC(C(=O)O)c1ncnn1-c1ccccc1
InChIInChI=1S/C10H10N4O2/c11-8(10(15)16)9-12-6-13-14(9)7-4-2-1-3-5-7/h1-6,8H,11H2,(H,15,16)
InChIKeyCDOJBMNYCHLYTF-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid

2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid (PubChem CID 115030492) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid
PubChem CID115030492
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid
SMILESNC(C(=O)O)c1ncnn1-c1ccccc1
InChIInChI=1S/C10H10N4O2/c11-8(10(15)16)9-12-6-13-14(9)7-4-2-1-3-5-7/h1-6,8H,11H2,(H,15,16)
InChIKeyCDOJBMNYCHLYTF-UHFFFAOYSA-N
XLogP0.35
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-phenylimidazol-4-yl)acetic acid
CID 83887444
2-(2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
CID 115022972
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331594
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
CID 172809734
CID 172809734
(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 843426
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
CID 115037019
(2R)-2-amino-2-(1-methylimidazol-2-yl)acetic acid
CID 26597297

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid (CID 115030492) is 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid is NC(C(=O)O)c1ncnn1-c1ccccc1.
What is the InChIKey of 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is CDOJBMNYCHLYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-8(10(15)16)9-12-6-13-14(9)7-4-2-1-3-5-7/h1-6,8H,11H2,(H,15,16).
What are the key properties of 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid?
2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 115030492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).