N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide

C8H15N5O — CID 59768448

IUPACN-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C8H15N5O/c1-8(2,3)9-7(14)5-6-10-12-13(4)11-6/h5H2,1-4H3,(H,9,14)
InChIKeyUHMBPMWDMZHSAN-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.33
Rot. Bonds2

About N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide

N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide (PubChem CID 59768448) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide
PubChem CID59768448
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C8H15N5O/c1-8(2,3)9-7(14)5-6-10-12-13(4)11-6/h5H2,1-4H3,(H,9,14)
InChIKeyUHMBPMWDMZHSAN-UHFFFAOYSA-N
XLogP-0.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide (CID 59768448) is N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide is Cn1nnc(CC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is UHMBPMWDMZHSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-8(2,3)9-7(14)5-6-10-12-13(4)11-6/h5H2,1-4H3,(H,9,14).
What are the key properties of N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide?
N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 59768448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).