N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide

C15H18N6O — CID 60514491

IUPACN-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H18N6O/c1-3-20(10-12(2)9-16)14(22)11-21-18-15(17-19-21)13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3
InChIKeyQTPHMQPALZOPEW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.35
Rot. Bonds6

About N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide

N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 60514491) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID60514491
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H18N6O/c1-3-20(10-12(2)9-16)14(22)11-21-18-15(17-19-21)13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3
InChIKeyQTPHMQPALZOPEW-UHFFFAOYSA-N
XLogP1.35
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Piperidin-1-yl-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863245
2-(5-Phenyltetrazol-2-yl)-1-piperidin-1-ylethanone
CID 866087
4-methyl-1-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperidine
CID 895545
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 591008
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 590954
2-(Cyclopentyl-{2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-(3-methyl-butyl)-propionamide
CID 650552
1-(2-Methyl-piperidin-1-yl)-3-(5-p-tolyl-tetrazol-2-yl)-propan-1-one
CID 653104
N-Cyclopentyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-acetamide
CID 654864
N-(2-Cyclohex-1-enyl-ethyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 846203
2-[5-[4-(Piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1462968
1-(Azepan-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 2550352
N-Cyclohexyl-N-methyl-2-[5-(3-trifluoromethyl-phenyl)-tetrazol-2-yl]-acetamide
CID 3229088

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide (CID 60514491) is N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide is CCN(CC(C)C#N)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is QTPHMQPALZOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-20(10-12(2)9-16)14(22)11-21-18-15(17-19-21)13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide?
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 60514491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).