N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C13H14N6O — CID 95637470

IUPACN-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC[C@@H](C#N)NC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H14N6O/c1-2-11(8-14)16-13(20)7-10-3-5-12(6-4-10)19-9-15-17-18-19/h3-6,9,11H,2,7H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyDRKUIDUPQVWKRI-NSHDSACASA-N
MW270.30 g/mol
LogP0.62
Rot. Bonds5

About N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 95637470) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID95637470
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC[C@@H](C#N)NC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H14N6O/c1-2-11(8-14)16-13(20)7-10-3-5-12(6-4-10)19-9-15-17-18-19/h3-6,9,11H,2,7H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyDRKUIDUPQVWKRI-NSHDSACASA-N
XLogP0.62
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600753
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96518938
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-[(1R)-1-cyanopropyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 95292371
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75358387
N-(9-ethylcarbazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52576497
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601526
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 95637470) is N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CC[C@@H](C#N)NC(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is DRKUIDUPQVWKRI-NSHDSACASA-N. The full InChI is InChI=1S/C13H14N6O/c1-2-11(8-14)16-13(20)7-10-3-5-12(6-4-10)19-9-15-17-18-19/h3-6,9,11H,2,7H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 270.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanopropyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 95637470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).