3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

C11H16N6O — CID 68878949

IUPAC3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c1N=NN(C1CCCCC1)C2
InChIInChI=1S/C11H16N6O/c12-10(18)9-11-14-15-17(7-16(11)6-13-9)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,18)
InChIKeyWAEXTUQHDIPKDL-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.59
Rot. Bonds2

About 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (PubChem CID 68878949) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
PubChem CID68878949
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
SMILESNC(=O)c1ncn2c1N=NN(C1CCCCC1)C2
InChIInChI=1S/C11H16N6O/c12-10(18)9-11-14-15-17(7-16(11)6-13-9)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,18)
InChIKeyWAEXTUQHDIPKDL-UHFFFAOYSA-N
XLogP1.59
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The IUPAC name of 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide (CID 68878949) is 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
What is the SMILES notation for 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The canonical SMILES for 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is NC(=O)c1ncn2c1N=NN(C1CCCCC1)C2.
What is the InChIKey of 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
The InChIKey is WAEXTUQHDIPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-10(18)9-11-14-15-17(7-16(11)6-13-9)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,18).
What are the key properties of 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide?
3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4H-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide is sourced from PubChem (CID 68878949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).