2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid

C10H13N5O2 — CID 79218549

IUPAC2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2nnnn2c(CC)c1CC(=O)O
InChIInChI=1S/C10H13N5O2/c1-3-7-6(5-9(16)17)8(4-2)15-10(11-7)12-13-14-15/h3-5H2,1-2H3,(H,16,17)
InChIKeyFXCSWCYYZUZWII-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.27
Rot. Bonds4

About 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid

2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid (PubChem CID 79218549) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid
PubChem CID79218549
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid
SMILESCCc1nc2nnnn2c(CC)c1CC(=O)O
InChIInChI=1S/C10H13N5O2/c1-3-7-6(5-9(16)17)8(4-2)15-10(11-7)12-13-14-15/h3-5H2,1-2H3,(H,16,17)
InChIKeyFXCSWCYYZUZWII-UHFFFAOYSA-N
XLogP0.27
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid (CID 79218549) is 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid is CCc1nc2nnnn2c(CC)c1CC(=O)O.
What is the InChIKey of 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
The InChIKey is FXCSWCYYZUZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-3-7-6(5-9(16)17)8(4-2)15-10(11-7)12-13-14-15/h3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid?
2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid has a molecular weight of 235.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-diethyltetrazolo[1,5-a]pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 79218549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).