2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone

C12H15N5O2 — CID 861127

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)o1
InChIInChI=1S/C12H15N5O2/c1-9-4-5-10(19-9)12-13-15-17(14-12)8-11(18)16-6-2-3-7-16/h4-5H,2-3,6-8H2,1H3
InChIKeyGHKYJQWBRABBJP-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.86
Rot. Bonds3

About 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone

2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 861127) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID861127
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)o1
InChIInChI=1S/C12H15N5O2/c1-9-4-5-10(19-9)12-13-15-17(14-12)8-11(18)16-6-2-3-7-16/h4-5H,2-3,6-8H2,1H3
InChIKeyGHKYJQWBRABBJP-UHFFFAOYSA-N
XLogP0.86
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
1-pyrrolidin-1-yl-2-[5-(3,4,5-trimethoxyphenyl)tetrazol-2-yl]ethanone
CID 5299055
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955
N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
CID 861115
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3600221
(2R)-2-[cyclohexyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 1142764
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
2-[5-[(2-methylphenyl)methyl]tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 146129081
N-cyclopentyl-2-(5-methylfuran-2-yl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3180366
(2R)-N-cyclopentyl-2-(4-hydroxyphenyl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 25447546
[2-(azocan-1-yl)-2-oxoethyl] 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetate
CID 8678145

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone (CID 861127) is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc(-c2nnn(CC(=O)N3CCCC3)n2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is GHKYJQWBRABBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-4-5-10(19-9)12-13-15-17(14-12)8-11(18)16-6-2-3-7-16/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone?
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 261.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 861127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).