N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C16H18N6O — CID 7350192

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N[C@](C)(C#N)C2CC2)n1
InChIInChI=1S/C16H18N6O/c1-11-5-3-4-6-13(11)15-19-21-22(20-15)9-14(23)18-16(2,10-17)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyWYGNSLBWOWZPHJ-MRXNPFEDSA-N
MW310.36 g/mol
LogP1.46
Rot. Bonds5

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7350192) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7350192
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)N[C@](C)(C#N)C2CC2)n1
InChIInChI=1S/C16H18N6O/c1-11-5-3-4-6-13(11)15-19-21-22(20-15)9-14(23)18-16(2,10-17)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyWYGNSLBWOWZPHJ-MRXNPFEDSA-N
XLogP1.46
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813057
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128230
N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 11899134
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
N-ethyl-2-[5-(2-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 7634888
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 3265449
N-[(2R)-1-methoxypropan-2-yl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350175
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 94469376
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 7350192) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)N[C@](C)(C#N)C2CC2)n1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is WYGNSLBWOWZPHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-5-3-4-6-13(11)15-19-21-22(20-15)9-14(23)18-16(2,10-17)12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,18,23)/t16-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7350192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).