N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide

C11H10N6O — CID 84759174

IUPACN-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnnn2CC#N)cc1
InChIInChI=1S/C11H10N6O/c1-8(18)13-10-4-2-9(3-5-10)11-14-15-16-17(11)7-6-12/h2-5H,7H2,1H3,(H,13,18)
InChIKeyFPNIKELVYINGAL-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.82
Rot. Bonds3

About N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide

N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide (PubChem CID 84759174) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide
PubChem CID84759174
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC NameN-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nnnn2CC#N)cc1
InChIInChI=1S/C11H10N6O/c1-8(18)13-10-4-2-9(3-5-10)11-14-15-16-17(11)7-6-12/h2-5H,7H2,1H3,(H,13,18)
InChIKeyFPNIKELVYINGAL-UHFFFAOYSA-N
XLogP0.82
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421405
N-[4-[2-[5-(4-chlorophenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421663
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
N-[4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]phenyl]acetamide
CID 25049417
1-(cyanomethyl)-5-(4-methylphenyl)triazole-4-carboxylic acid
CID 82206322
N-(4-methylphenyl)acetamide
CID 7684
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide (CID 84759174) is N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nnnn2CC#N)cc1.
What is the InChIKey of N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide?
The InChIKey is FPNIKELVYINGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-8(18)13-10-4-2-9(3-5-10)11-14-15-16-17(11)7-6-12/h2-5H,7H2,1H3,(H,13,18).
What are the key properties of N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide?
N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyanomethyl)tetrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 84759174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).