(7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol

C8H12BrN3O — CID 83912916

IUPAC(7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol
SMILESNC1(CO)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C8H12BrN3O/c9-7-5-2-1-3-8(10,4-13)6(5)11-12-7/h13H,1-4,10H2,(H,11,12)
InChIKeyNSAPLHOYQMFZQD-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.65
Rot. Bonds1

About (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol

(7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol (PubChem CID 83912916) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol.

Molecular Properties

Compound Name(7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol
PubChem CID83912916
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name(7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol
SMILESNC1(CO)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C8H12BrN3O/c9-7-5-2-1-3-8(10,4-13)6(5)11-12-7/h13H,1-4,10H2,(H,11,12)
InChIKeyNSAPLHOYQMFZQD-UHFFFAOYSA-N
XLogP0.65
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol?
The IUPAC name of (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol (CID 83912916) is (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol.
What is the SMILES notation for (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol?
The canonical SMILES for (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol is NC1(CO)CCCc2c(Br)n[nH]c21.
What is the InChIKey of (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol?
The InChIKey is NSAPLHOYQMFZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-7-5-2-1-3-8(10,4-13)6(5)11-12-7/h13H,1-4,10H2,(H,11,12).
What are the key properties of (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol?
(7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol has a molecular weight of 246.11 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3-bromo-1,4,5,6-tetrahydroindazol-7-yl)methanol is sourced from PubChem (CID 83912916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).