3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one

C9H15N5O — CID 107061864

IUPAC3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)C(C)(N)C2CC2)n1
InChIInChI=1S/C9H15N5O/c1-9(10,6-3-4-6)7(15)5-8-11-13-14(2)12-8/h6H,3-5,10H2,1-2H3
InChIKeyUZXCMUQXIOFFJL-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.55
Rot. Bonds4

About 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one

3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107061864) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107061864
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)C(C)(N)C2CC2)n1
InChIInChI=1S/C9H15N5O/c1-9(10,6-3-4-6)7(15)5-8-11-13-14(2)12-8/h6H,3-5,10H2,1-2H3
InChIKeyUZXCMUQXIOFFJL-UHFFFAOYSA-N
XLogP-0.55
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107061864) is 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one is Cn1nnc(CC(=O)C(C)(N)C2CC2)n1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is UZXCMUQXIOFFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-9(10,6-3-4-6)7(15)5-8-11-13-14(2)12-8/h6H,3-5,10H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one?
3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107061864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).