4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one

C10H19N5O — CID 107061856

IUPAC4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCNC(C)(C)C)n1
InChIInChI=1S/C10H19N5O/c1-10(2,3)11-6-5-8(16)7-9-12-14-15(4)13-9/h11H,5-7H2,1-4H3
InChIKeyCPSZPEHSNDVVEF-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.10
Rot. Bonds5

About 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one

4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107061856) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107061856
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCNC(C)(C)C)n1
InChIInChI=1S/C10H19N5O/c1-10(2,3)11-6-5-8(16)7-9-12-14-15(4)13-9/h11H,5-7H2,1-4H3
InChIKeyCPSZPEHSNDVVEF-UHFFFAOYSA-N
XLogP0.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107061856) is 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one is Cn1nnc(CC(=O)CCNC(C)(C)C)n1.
What is the InChIKey of 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is CPSZPEHSNDVVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(2,3)11-6-5-8(16)7-9-12-14-15(4)13-9/h11H,5-7H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107061856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).