N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

C17H20N6O — CID 26571918

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1(C#N)CCCCC1
InChIInChI=1S/C17H20N6O/c1-22(17(13-18)10-6-3-7-11-17)15(24)12-23-20-16(19-21-23)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeySAAQLXJDFMCTRO-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.02
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 26571918) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID26571918
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCN(C(=O)Cn1nnc(-c2ccccc2)n1)C1(C#N)CCCCC1
InChIInChI=1S/C17H20N6O/c1-22(17(13-18)10-6-3-7-11-17)15(24)12-23-20-16(19-21-23)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeySAAQLXJDFMCTRO-UHFFFAOYSA-N
XLogP2.02
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 26571918) is N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is CN(C(=O)Cn1nnc(-c2ccccc2)n1)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is SAAQLXJDFMCTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22(17(13-18)10-6-3-7-11-17)15(24)12-23-20-16(19-21-23)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 26571918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).