2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

C18H24N6O — CID 134813305

IUPAC2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCCC1CN1CCCC1
InChIInChI=1S/C18H24N6O/c25-17(23-12-6-9-16(23)13-22-10-4-5-11-22)14-24-20-18(19-21-24)15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2
InChIKeyQQDFVHPSPUKPGL-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.43
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 134813305) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID134813305
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCCC1CN1CCCC1
InChIInChI=1S/C18H24N6O/c25-17(23-12-6-9-16(23)13-22-10-4-5-11-22)14-24-20-18(19-21-24)15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2
InChIKeyQQDFVHPSPUKPGL-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 46806674
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
(2R)-1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119370606
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 66260722
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
1-[(2S)-2-[(5-pyridin-4-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 92578282

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 134813305) is 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCCC1CN1CCCC1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is QQDFVHPSPUKPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-17(23-12-6-9-16(23)13-22-10-4-5-11-22)14-24-20-18(19-21-24)15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 134813305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).