2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

C9H11N5O2 — CID 84787761

IUPAC2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2ncc(C(N)C(=O)O)cn2n1
InChIInChI=1S/C9H11N5O2/c1-2-6-12-9-11-3-5(4-14(9)13-6)7(10)8(15)16/h3-4,7H,2,10H2,1H3,(H,15,16)
InChIKeyKRNVHYDIBVMXGU-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.23
Rot. Bonds3

About 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 84787761) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID84787761
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2ncc(C(N)C(=O)O)cn2n1
InChIInChI=1S/C9H11N5O2/c1-2-6-12-9-11-3-5(4-14(9)13-6)7(10)8(15)16/h3-4,7H,2,10H2,1H3,(H,15,16)
InChIKeyKRNVHYDIBVMXGU-UHFFFAOYSA-N
XLogP-0.23
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 84787761) is 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is CCc1nc2ncc(C(N)C(=O)O)cn2n1.
What is the InChIKey of 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is KRNVHYDIBVMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-2-6-12-9-11-3-5(4-14(9)13-6)7(10)8(15)16/h3-4,7H,2,10H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 221.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 84787761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).