1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone

C10H17N5O — CID 146125913

IUPAC1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone
SMILESCC(C)(C)c1nnnn1CC(=O)N1CCC1
InChIInChI=1S/C10H17N5O/c1-10(2,3)9-11-12-13-15(9)7-8(16)14-5-4-6-14/h4-7H2,1-3H3
InChIKeyDOIATRSQCQTNKK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.20
Rot. Bonds2

About 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone

1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone (PubChem CID 146125913) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone
PubChem CID146125913
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone
SMILESCC(C)(C)c1nnnn1CC(=O)N1CCC1
InChIInChI=1S/C10H17N5O/c1-10(2,3)9-11-12-13-15(9)7-8(16)14-5-4-6-14/h4-7H2,1-3H3
InChIKeyDOIATRSQCQTNKK-UHFFFAOYSA-N
XLogP0.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 146123479
4-(5-tert-butyltetrazol-1-yl)-2-methylbutanoic acid
CID 80541585
2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 60586371
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-piperidin-1-ylethanone
CID 9421864
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,4-dimethylpentanoic acid
CID 107474996
1-[2-(azepan-1-yl)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62056116
2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 82202534
5-(aminomethyl)-1-[2-(azetidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 103121400
2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 60548380
2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56821086
(4S)-5-[2-(5-tert-butyltetrazol-1-yl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 95197534
3-[(5-tert-butyltetrazol-1-yl)methyl]benzoic acid
CID 154745533

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone (CID 146125913) is 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone is CC(C)(C)c1nnnn1CC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone?
The InChIKey is DOIATRSQCQTNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,3)9-11-12-13-15(9)7-8(16)14-5-4-6-14/h4-7H2,1-3H3.
What are the key properties of 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone?
1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(5-tert-butyltetrazol-1-yl)ethanone is sourced from PubChem (CID 146125913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).