2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

C9H11N5O2 — CID 4962741

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)O
InChIInChI=1S/C9H11N5O2/c1-4-6(3-7(15)16)5(2)14-9(11-4)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)(H,15,16)
InChIKeyGQYINQKBXXAJOP-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.05
Rot. Bonds2

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 4962741) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID4962741
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)O
InChIInChI=1S/C9H11N5O2/c1-4-6(3-7(15)16)5(2)14-9(11-4)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)(H,15,16)
InChIKeyGQYINQKBXXAJOP-UHFFFAOYSA-N
XLogP-0.05
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 16783002
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CID 16793130
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CID 62095019
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CID 79220420
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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 4962741) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is Cc1nc2nc(N)nn2c(C)c1CC(=O)O.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is GQYINQKBXXAJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-4-6(3-7(15)16)5(2)14-9(11-4)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)(H,15,16).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 221.22 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 4962741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).