N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide

C4H9N5O — CID 163911554

IUPACN-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide
SMILESCC(=O)NC1=NNN(C)N1
InChIInChI=1S/C4H9N5O/c1-3(10)5-4-6-8-9(2)7-4/h8H,1-2H3,(H2,5,6,7,10)
InChIKeyDVSQOVHSJAEKMZ-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.65
Rot. Bonds

About N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide

N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide (PubChem CID 163911554) has the molecular formula C4H9N5O and a molecular weight of 143.15 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide
PubChem CID163911554
Molecular FormulaC4H9N5O
Molecular Weight143.15 g/mol
Exact Mass143.08
IUPAC NameN-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide
SMILESCC(=O)NC1=NNN(C)N1
InChIInChI=1S/C4H9N5O/c1-3(10)5-4-6-8-9(2)7-4/h8H,1-2H3,(H2,5,6,7,10)
InChIKeyDVSQOVHSJAEKMZ-UHFFFAOYSA-N
XLogP-1.65
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide (CID 163911554) is N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide is CC(=O)NC1=NNN(C)N1.
What is the InChIKey of N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide?
The InChIKey is DVSQOVHSJAEKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O/c1-3(10)5-4-6-8-9(2)7-4/h8H,1-2H3,(H2,5,6,7,10).
What are the key properties of N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide?
N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide has a molecular weight of 143.15 g/mol, XLogP of -1.65, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydrotetrazol-5-yl)acetamide is sourced from PubChem (CID 163911554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).