N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide

C15H16N6O — CID 4825124

IUPACN-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3ccccc3)n2)CCCC1
InChIInChI=1S/C15H16N6O/c16-11-15(8-4-5-9-15)17-13(22)10-21-19-14(18-20-21)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,17,22)
InChIKeyMSHILQVMGUURTL-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.29
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 4825124) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID4825124
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3ccccc3)n2)CCCC1
InChIInChI=1S/C15H16N6O/c16-11-15(8-4-5-9-15)17-13(22)10-21-19-14(18-20-21)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,17,22)
InChIKeyMSHILQVMGUURTL-UHFFFAOYSA-N
XLogP1.29
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 154801764
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
CID 7490896
N-(1-cyanocyclopentyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589056
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
N-[4-(cyanomethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3995748
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-(1-cyanocyclopentyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416497
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 4825124) is N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide is N#CC1(NC(=O)Cn2nnc(-c3ccccc3)n2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is MSHILQVMGUURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-11-15(8-4-5-9-15)17-13(22)10-21-19-14(18-20-21)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,17,22).
What are the key properties of N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 4825124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).