[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol

C10H15N3O — CID 130840690

IUPAC[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1C1C2CCCCC21
InChIInChI=1S/C10H15N3O/c14-5-9-12-11-6-13(9)10-7-3-1-2-4-8(7)10/h6-8,10,14H,1-5H2
InChIKeyKJISTCZQNIAWMI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.13
Rot. Bonds2

About [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol

[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 130840690) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol
PubChem CID130840690
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1C1C2CCCCC21
InChIInChI=1S/C10H15N3O/c14-5-9-12-11-6-13(9)10-7-3-1-2-4-8(7)10/h6-8,10,14H,1-5H2
InChIKeyKJISTCZQNIAWMI-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol (CID 130840690) is [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol is OCc1nncn1C1C2CCCCC21.
What is the InChIKey of [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is KJISTCZQNIAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-5-9-12-11-6-13(9)10-7-3-1-2-4-8(7)10/h6-8,10,14H,1-5H2.
What are the key properties of [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol?
[4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 193.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bicyclo[4.1.0]heptanyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130840690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).