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

C13H12N6O — CID 154801764

IUPACN-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C13H12N6O/c14-9-13(6-7-13)15-11(20)8-19-17-12(16-18-19)10-4-2-1-3-5-10/h1-5H,6-8H2,(H,15,20)
InChIKeyVQKHPMAQTGOTDH-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.51
Rot. Bonds4

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

N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 154801764) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID154801764
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C13H12N6O/c14-9-13(6-7-13)15-11(20)8-19-17-12(16-18-19)10-4-2-1-3-5-10/h1-5H,6-8H2,(H,15,20)
InChIKeyVQKHPMAQTGOTDH-UHFFFAOYSA-N
XLogP0.51
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclopentyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4825124
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
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 154801764) is N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide is N#CC1(NC(=O)Cn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is VQKHPMAQTGOTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-9-13(6-7-13)15-11(20)8-19-17-12(16-18-19)10-4-2-1-3-5-10/h1-5H,6-8H2,(H,15,20).
What are the key properties of N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 154801764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).