[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium

C15H25N4O2+ — CID 11886755

IUPAC[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium
SMILES[NH3+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1
InChIInChI=1S/C15H24N4O2/c16-12-8-20-15-13(9-21-14(12)15)19-7-11(17-18-19)6-10-4-2-1-3-5-10/h7,10,12-15H,1-6,8-9,16H2/p+1/t12-,13-,14+,15+/m0/s1
InChIKeyACPUVXGELYYVPR-BYNSBNAKSA-O
MW293.39 g/mol
LogP0.35
Rot. Bonds3

About [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium

[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium (PubChem CID 11886755) has the molecular formula C15H25N4O2+ and a molecular weight of 293.39 g/mol. Its IUPAC name is [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium.

Molecular Properties

Compound Name[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium
PubChem CID11886755
Molecular FormulaC15H25N4O2+
Molecular Weight293.39 g/mol
Exact Mass293.20
IUPAC Name[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium
SMILES[NH3+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1
InChIInChI=1S/C15H24N4O2/c16-12-8-20-15-13(9-21-14(12)15)19-7-11(17-18-19)6-10-4-2-1-3-5-10/h7,10,12-15H,1-6,8-9,16H2/p+1/t12-,13-,14+,15+/m0/s1
InChIKeyACPUVXGELYYVPR-BYNSBNAKSA-O
XLogP0.35
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium?
The IUPAC name of [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium (CID 11886755) is [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium.
What is the SMILES notation for [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium?
The canonical SMILES for [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium is [NH3+][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1.
What is the InChIKey of [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium?
The InChIKey is ACPUVXGELYYVPR-BYNSBNAKSA-O. The full InChI is InChI=1S/C15H24N4O2/c16-12-8-20-15-13(9-21-14(12)15)19-7-11(17-18-19)6-10-4-2-1-3-5-10/h7,10,12-15H,1-6,8-9,16H2/p+1/t12-,13-,14+,15+/m0/s1.
What are the key properties of [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium?
[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium has a molecular weight of 293.39 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]azanium is sourced from PubChem (CID 11886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).