2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide

C10H14F3N5O — CID 94151419

IUPAC2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cn1cnnn1)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)7-2-1-3-8(4-7)15-9(19)5-18-6-14-16-17-18/h6-8H,1-5H2,(H,15,19)/t7-,8+/m1/s1
InChIKeyYVUYSDNQGSQRTM-SFYZADRCSA-N
MW277.25 g/mol
LogP0.91
Rot. Bonds3

About 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide

2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 94151419) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID94151419
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cn1cnnn1)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)7-2-1-3-8(4-7)15-9(19)5-18-6-14-16-17-18/h6-8H,1-5H2,(H,15,19)/t7-,8+/m1/s1
InChIKeyYVUYSDNQGSQRTM-SFYZADRCSA-N
XLogP0.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 94151419) is 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is O=C(Cn1cnnn1)N[C@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is YVUYSDNQGSQRTM-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)7-2-1-3-8(4-7)15-9(19)5-18-6-14-16-17-18/h6-8H,1-5H2,(H,15,19)/t7-,8+/m1/s1.
What are the key properties of 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 94151419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).