N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide

C11H14F3N7O2 — CID 176650266

IUPACN,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide
SMILESC/N=C(/c1ncn2c(=O)n(CCOC(F)(F)F)nnc12)N(C)C
InChIInChI=1S/C11H14F3N7O2/c1-15-8(19(2)3)7-9-17-18-21(4-5-23-11(12,13)14)10(22)20(9)6-16-7/h6H,4-5H2,1-3H3/b15-8-
InChIKeyDALZBSPWNFTPME-NVNXTCNLSA-N
MW333.27 g/mol
LogP-0.24
Rot. Bonds4

About N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide

N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide (PubChem CID 176650266) has the molecular formula C11H14F3N7O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide.

Molecular Properties

Compound NameN,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide
PubChem CID176650266
Molecular FormulaC11H14F3N7O2
Molecular Weight333.27 g/mol
Exact Mass333.12
IUPAC NameN,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide
SMILESC/N=C(/c1ncn2c(=O)n(CCOC(F)(F)F)nnc12)N(C)C
InChIInChI=1S/C11H14F3N7O2/c1-15-8(19(2)3)7-9-17-18-21(4-5-23-11(12,13)14)10(22)20(9)6-16-7/h6H,4-5H2,1-3H3/b15-8-
InChIKeyDALZBSPWNFTPME-NVNXTCNLSA-N
XLogP-0.24
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide?
The IUPAC name of N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide (CID 176650266) is N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide.
What is the SMILES notation for N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide?
The canonical SMILES for N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide is C/N=C(/c1ncn2c(=O)n(CCOC(F)(F)F)nnc12)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide?
The InChIKey is DALZBSPWNFTPME-NVNXTCNLSA-N. The full InChI is InChI=1S/C11H14F3N7O2/c1-15-8(19(2)3)7-9-17-18-21(4-5-23-11(12,13)14)10(22)20(9)6-16-7/h6H,4-5H2,1-3H3/b15-8-.
What are the key properties of N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide?
N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide has a molecular weight of 333.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-4-oxo-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazine-8-carboximidamide is sourced from PubChem (CID 176650266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).