[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

C12H19N3O — CID 66026284

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCn1ncnc1CC1(CO)CC2CCC1C2
InChIInChI=1S/C12H19N3O/c1-15-11(13-8-14-15)6-12(7-16)5-9-2-3-10(12)4-9/h8-10,16H,2-7H2,1H3
InChIKeyIWKUOKMPFRPZII-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.16
Rot. Bonds3

About [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66026284) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID66026284
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCn1ncnc1CC1(CO)CC2CCC1C2
InChIInChI=1S/C12H19N3O/c1-15-11(13-8-14-15)6-12(7-16)5-9-2-3-10(12)4-9/h8-10,16H,2-7H2,1H3
InChIKeyIWKUOKMPFRPZII-UHFFFAOYSA-N
XLogP1.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (CID 66026284) is [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is Cn1ncnc1CC1(CO)CC2CCC1C2.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is IWKUOKMPFRPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-11(13-8-14-15)6-12(7-16)5-9-2-3-10(12)4-9/h8-10,16H,2-7H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66026284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).