5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole

C14H22N6O — CID 95724185

IUPAC5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
SMILESCC1(C)C[C@@H](c2nccn2CCCc2nn[nH]n2)CCO1
InChIInChI=1S/C14H22N6O/c1-14(2)10-11(5-9-21-14)13-15-6-8-20(13)7-3-4-12-16-18-19-17-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,17,18,19)/t11-/m0/s1
InChIKeyNYAPZLSGRLQTFZ-NSHDSACASA-N
MW290.37 g/mol
LogP1.70
Rot. Bonds5

About 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole

5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole (PubChem CID 95724185) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
PubChem CID95724185
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
SMILESCC1(C)C[C@@H](c2nccn2CCCc2nn[nH]n2)CCO1
InChIInChI=1S/C14H22N6O/c1-14(2)10-11(5-9-21-14)13-15-6-8-20(13)7-3-4-12-16-18-19-17-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,17,18,19)/t11-/m0/s1
InChIKeyNYAPZLSGRLQTFZ-NSHDSACASA-N
XLogP1.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole 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 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole?
The IUPAC name of 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole (CID 95724185) is 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole is CC1(C)C[C@@H](c2nccn2CCCc2nn[nH]n2)CCO1.
What is the InChIKey of 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole?
The InChIKey is NYAPZLSGRLQTFZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N6O/c1-14(2)10-11(5-9-21-14)13-15-6-8-20(13)7-3-4-12-16-18-19-17-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,17,18,19)/t11-/m0/s1.
What are the key properties of 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole?
5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole has a molecular weight of 290.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole is sourced from PubChem (CID 95724185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).