N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide

C7H13N5O — CID 110498041

IUPACN,N-diethyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CC)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-12(4-2)7(13)5-6-8-10-11-9-6/h3-5H2,1-2H3,(H,8,9,10,11)
InChIKeyUPQDTMWBQPANNY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.39
Rot. Bonds4

About N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide

N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110498041) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110498041
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN,N-diethyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CC)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-3-12(4-2)7(13)5-6-8-10-11-9-6/h3-5H2,1-2H3,(H,8,9,10,11)
InChIKeyUPQDTMWBQPANNY-UHFFFAOYSA-N
XLogP-0.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 110496410
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CID 23395577
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CID 23540473
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CID 57669521
CID 57669521
CID 57829944
CID 57829944
CID 68348067
CID 68348067
CID 89047941
CID 89047941
CID 89191568
CID 89191568
CID 110496402
CID 110496402
CID 110496412
CID 110496412
CID 110719972
CID 110719972

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide (CID 110498041) is N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide is CCN(CC)C(=O)Cc1nn[nH]n1.
What is the InChIKey of N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is UPQDTMWBQPANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-3-12(4-2)7(13)5-6-8-10-11-9-6/h3-5H2,1-2H3,(H,8,9,10,11).
What are the key properties of N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide?
N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110498041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).