1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol

C13H18N4O2 — CID 99838642

IUPAC1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cn2nnc(-c3ccco3)n2)CC1
InChIInChI=1S/C13H18N4O2/c1-10-4-6-13(18,7-5-10)9-17-15-12(14-16-17)11-3-2-8-19-11/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyPSMFBNDMWYFSKP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.87
Rot. Bonds3

About 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol

1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol (PubChem CID 99838642) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol
PubChem CID99838642
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cn2nnc(-c3ccco3)n2)CC1
InChIInChI=1S/C13H18N4O2/c1-10-4-6-13(18,7-5-10)9-17-15-12(14-16-17)11-3-2-8-19-11/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyPSMFBNDMWYFSKP-UHFFFAOYSA-N
XLogP1.87
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol (CID 99838642) is 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(Cn2nnc(-c3ccco3)n2)CC1.
What is the InChIKey of 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is PSMFBNDMWYFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-4-6-13(18,7-5-10)9-17-15-12(14-16-17)11-3-2-8-19-11/h2-3,8,10,18H,4-7,9H2,1H3.
What are the key properties of 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol?
1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 262.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 99838642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).