(7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol

C9H14BrN3O — CID 83913331

IUPAC(7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
SMILESCn1nc(Br)c2c1C(N)(CO)CCC2
InChIInChI=1S/C9H14BrN3O/c1-13-7-6(8(10)12-13)3-2-4-9(7,11)5-14/h14H,2-5,11H2,1H3
InChIKeyTVSRBMQVEPWOMU-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.67
Rot. Bonds1

About (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol

(7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol (PubChem CID 83913331) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol.

Molecular Properties

Compound Name(7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
PubChem CID83913331
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name(7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol
SMILESCn1nc(Br)c2c1C(N)(CO)CCC2
InChIInChI=1S/C9H14BrN3O/c1-13-7-6(8(10)12-13)3-2-4-9(7,11)5-14/h14H,2-5,11H2,1H3
InChIKeyTVSRBMQVEPWOMU-UHFFFAOYSA-N
XLogP0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
The IUPAC name of (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol (CID 83913331) is (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol.
What is the SMILES notation for (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
The canonical SMILES for (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol is Cn1nc(Br)c2c1C(N)(CO)CCC2.
What is the InChIKey of (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
The InChIKey is TVSRBMQVEPWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-13-7-6(8(10)12-13)3-2-4-9(7,11)5-14/h14H,2-5,11H2,1H3.
What are the key properties of (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol?
(7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol has a molecular weight of 260.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-yl)methanol is sourced from PubChem (CID 83913331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).