N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C12H17N5O2 — CID 650890

IUPACN,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCCN(CC)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H17N5O2/c1-4-16(5-2)11(18)8-17-14-12(13-15-17)10-7-6-9(3)19-10/h6-7H,4-5,8H2,1-3H3
InChIKeyUGSJPGCOWGHKBQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.11
Rot. Bonds5

About N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 650890) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID650890
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCCN(CC)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H17N5O2/c1-4-16(5-2)11(18)8-17-14-12(13-15-17)10-7-6-9(3)19-10/h6-7H,4-5,8H2,1-3H3
InChIKeyUGSJPGCOWGHKBQ-UHFFFAOYSA-N
XLogP1.11
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 650890) is N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is CCN(CC)C(=O)Cn1nnc(-c2ccc(C)o2)n1.
What is the InChIKey of N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is UGSJPGCOWGHKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-16(5-2)11(18)8-17-14-12(13-15-17)10-7-6-9(3)19-10/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 650890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).