(1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone

C7H11N5O — CID 164659203

IUPAC(1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone
SMILESCn1nnnc1C(=O)C1(N)CCC1
InChIInChI=1S/C7H11N5O/c1-12-6(9-10-11-12)5(13)7(8)3-2-4-7/h2-4,8H2,1H3
InChIKeyAMYZXYBBYBNUMK-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.73
Rot. Bonds2

About (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone

(1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone (PubChem CID 164659203) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone
PubChem CID164659203
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name(1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone
SMILESCn1nnnc1C(=O)C1(N)CCC1
InChIInChI=1S/C7H11N5O/c1-12-6(9-10-11-12)5(13)7(8)3-2-4-7/h2-4,8H2,1H3
InChIKeyAMYZXYBBYBNUMK-UHFFFAOYSA-N
XLogP-0.73
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 10397466
2-Amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 85132204
2-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 164659200
3-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659204
2-Methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)-2-(methylamino)propan-1-one
CID 164659206
3-Amino-3-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659207
3-(1-Methyl-1h-1,2,3,4-tetrazole-5-carbonyl)cyclobutan-1-amine
CID 164660419

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone (CID 164659203) is (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone is Cn1nnnc1C(=O)C1(N)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone?
The InChIKey is AMYZXYBBYBNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-6(9-10-11-12)5(13)7(8)3-2-4-7/h2-4,8H2,1H3.
What are the key properties of (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone?
(1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(1-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 164659203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).