2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid

C13H18N6O2 — CID 65242973

IUPAC2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid
SMILESCN(c1cncc2nnnn12)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H18N6O2/c1-18(11-9-14-8-10-15-16-17-19(10)11)13(7-12(20)21)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,20,21)
InChIKeyZDBONTBXKQOFMM-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.13
Rot. Bonds4

About 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid

2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid (PubChem CID 65242973) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid
PubChem CID65242973
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid
SMILESCN(c1cncc2nnnn12)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H18N6O2/c1-18(11-9-14-8-10-15-16-17-19(10)11)13(7-12(20)21)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,20,21)
InChIKeyZDBONTBXKQOFMM-UHFFFAOYSA-N
XLogP1.13
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]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-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid (CID 65242973) is 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid is CN(c1cncc2nnnn12)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid?
The InChIKey is ZDBONTBXKQOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-18(11-9-14-8-10-15-16-17-19(10)11)13(7-12(20)21)5-3-2-4-6-13/h8-9H,2-7H2,1H3,(H,20,21).
What are the key properties of 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid has a molecular weight of 290.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).