2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N5O — CID 136574259

IUPAC2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)Cn1nnnc1C1CC1
InChIInChI=1S/C11H16F3N5O/c1-7(2)18(6-11(12,13)14)9(20)5-19-10(8-3-4-8)15-16-17-19/h7-8H,3-6H2,1-2H3
InChIKeyCAPXQNUWZRWMLS-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.35
Rot. Bonds5

About 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 136574259) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID136574259
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)Cn1nnnc1C1CC1
InChIInChI=1S/C11H16F3N5O/c1-7(2)18(6-11(12,13)14)9(20)5-19-10(8-3-4-8)15-16-17-19/h7-8H,3-6H2,1-2H3
InChIKeyCAPXQNUWZRWMLS-UHFFFAOYSA-N
XLogP1.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 136574259) is 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)Cn1nnnc1C1CC1.
What is the InChIKey of 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CAPXQNUWZRWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-7(2)18(6-11(12,13)14)9(20)5-19-10(8-3-4-8)15-16-17-19/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 291.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyltetrazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 136574259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).