N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine

C26H25N5O — CID 3692693

IUPACN-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine
SMILESCN(Cc1ccco1)C1N(c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1
InChIInChI=1S/C26H25N5O/c1-29(20-24-18-11-19-32-24)26-30(22-14-7-3-8-15-22)27-25(21-12-5-2-6-13-21)28-31(26)23-16-9-4-10-17-23/h2-19,26H,20H2,1H3,(H,27,28)
InChIKeyGONGXGBQNGPUOM-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.89
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine

N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine (PubChem CID 3692693) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine
PubChem CID3692693
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine
SMILESCN(Cc1ccco1)C1N(c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1
InChIInChI=1S/C26H25N5O/c1-29(20-24-18-11-19-32-24)26-30(22-14-7-3-8-15-22)27-25(21-12-5-2-6-13-21)28-31(26)23-16-9-4-10-17-23/h2-19,26H,20H2,1H3,(H,27,28)
InChIKeyGONGXGBQNGPUOM-UHFFFAOYSA-N
XLogP4.89
TPSA47.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine (CID 3692693) is N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine is CN(Cc1ccco1)C1N(c2ccccc2)N=C(c2ccccc2)NN1c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine?
The InChIKey is GONGXGBQNGPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-29(20-24-18-11-19-32-24)26-30(22-14-7-3-8-15-22)27-25(21-12-5-2-6-13-21)28-31(26)23-16-9-4-10-17-23/h2-19,26H,20H2,1H3,(H,27,28).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine?
N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine has a molecular weight of 423.52 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 3692693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).