N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide

C7H13N5O2 — CID 115765001

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCC(CO)N(C)C(=O)Cn1cnnn1
InChIInChI=1S/C7H13N5O2/c1-6(4-13)11(2)7(14)3-12-5-8-9-10-12/h5-6,13H,3-4H2,1-2H3
InChIKeyDZTONPYUBYDCSV-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.49
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 115765001) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID115765001
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCC(CO)N(C)C(=O)Cn1cnnn1
InChIInChI=1S/C7H13N5O2/c1-6(4-13)11(2)7(14)3-12-5-8-9-10-12/h5-6,13H,3-4H2,1-2H3
InChIKeyDZTONPYUBYDCSV-UHFFFAOYSA-N
XLogP-1.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide (CID 115765001) is N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide is CC(CO)N(C)C(=O)Cn1cnnn1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is DZTONPYUBYDCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-6(4-13)11(2)7(14)3-12-5-8-9-10-12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 199.21 g/mol, XLogP of -1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 115765001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).