2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine

C12H13BrN4 — CID 65353443

IUPAC2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Br)cn1)CCCC2
InChIInChI=1S/C12H13BrN4/c13-8-5-6-11(15-7-8)17-12(14)9-3-1-2-4-10(9)16-17/h5-7H,1-4,14H2
InChIKeyKNOZMJBPPSRHAJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.49
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine

2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65353443) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65353443
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1-c1ccc(Br)cn1)CCCC2
InChIInChI=1S/C12H13BrN4/c13-8-5-6-11(15-7-8)17-12(14)9-3-1-2-4-10(9)16-17/h5-7H,1-4,14H2
InChIKeyKNOZMJBPPSRHAJ-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine (CID 65353443) is 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1c2c(nn1-c1ccc(Br)cn1)CCCC2.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is KNOZMJBPPSRHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-8-5-6-11(15-7-8)17-12(14)9-3-1-2-4-10(9)16-17/h5-7H,1-4,14H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 293.17 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65353443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).