1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid

C9H7ClN4O2 — CID 84799324

IUPAC1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2nc3ncc(Cl)cn3n2)CC1
InChIInChI=1S/C9H7ClN4O2/c10-5-3-11-8-12-6(13-14(8)4-5)9(1-2-9)7(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyMMYYOVDGFAVPTB-UHFFFAOYSA-N
MW238.63 g/mol
LogP0.89
Rot. Bonds2

About 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 84799324) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID84799324
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2nc3ncc(Cl)cn3n2)CC1
InChIInChI=1S/C9H7ClN4O2/c10-5-3-11-8-12-6(13-14(8)4-5)9(1-2-9)7(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyMMYYOVDGFAVPTB-UHFFFAOYSA-N
XLogP0.89
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid (CID 84799324) is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2nc3ncc(Cl)cn3n2)CC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is MMYYOVDGFAVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-5-3-11-8-12-6(13-14(8)4-5)9(1-2-9)7(15)16/h3-4H,1-2H2,(H,15,16).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid?
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84799324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).