2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid

C12H15N5O3 — CID 120580810

IUPAC2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C12H15N5O3/c1-8(2)16(7-11(19)20)10(18)6-9-14-12-13-4-3-5-17(12)15-9/h3-5,8H,6-7H2,1-2H3,(H,19,20)
InChIKeyIGNWSOQXQKAODH-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.01
Rot. Bonds5

About 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid

2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid (PubChem CID 120580810) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid
PubChem CID120580810
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C12H15N5O3/c1-8(2)16(7-11(19)20)10(18)6-9-14-12-13-4-3-5-17(12)15-9/h3-5,8H,6-7H2,1-2H3,(H,19,20)
InChIKeyIGNWSOQXQKAODH-UHFFFAOYSA-N
XLogP-0.01
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94649440
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94671546
1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94654421
1-[3-(methylsulfonimidoyl)azetidin-1-yl]-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 167880196
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733
N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 136515714
1-[(2S)-2-cyclohexylpyrrolidin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94620506
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 42961273
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
N,N-dimethyl-2-phenyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 42895535

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid (CID 120580810) is 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)Cc1nc2ncccn2n1.
What is the InChIKey of 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid?
The InChIKey is IGNWSOQXQKAODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(2)16(7-11(19)20)10(18)6-9-14-12-13-4-3-5-17(12)15-9/h3-5,8H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid?
2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid has a molecular weight of 277.28 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 120580810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).