2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide

C17H22N6O2 — CID 125155343

IUPAC2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
SMILESNc1nnnn1CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C17H22N6O2/c18-16-20-21-22-23(16)11-15(24)19-13-10-17(8-4-1-5-9-17)25-14-7-3-2-6-12(13)14/h2-3,6-7,13H,1,4-5,8-11H2,(H,19,24)(H2,18,20,22)/t13-/m0/s1
InChIKeyBJGJANYIFOYGRR-ZDUSSCGKSA-N
MW342.40 g/mol
LogP1.60
Rot. Bonds3

About 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide

2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide (PubChem CID 125155343) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
PubChem CID125155343
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
SMILESNc1nnnn1CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C17H22N6O2/c18-16-20-21-22-23(16)11-15(24)19-13-10-17(8-4-1-5-9-17)25-14-7-3-2-6-12(13)14/h2-3,6-7,13H,1,4-5,8-11H2,(H,19,24)(H2,18,20,22)/t13-/m0/s1
InChIKeyBJGJANYIFOYGRR-ZDUSSCGKSA-N
XLogP1.60
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide (CID 125155343) is 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide is Nc1nnnn1CC(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
The InChIKey is BJGJANYIFOYGRR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-16-20-21-22-23(16)11-15(24)19-13-10-17(8-4-1-5-9-17)25-14-7-3-2-6-12(13)14/h2-3,6-7,13H,1,4-5,8-11H2,(H,19,24)(H2,18,20,22)/t13-/m0/s1.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide is sourced from PubChem (CID 125155343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).