1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine

C13H15BrN4 — CID 65356884

IUPAC1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCNC1CCCc2c1cnn2-c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN4/c1-15-11-3-2-4-12-10(11)8-17-18(12)13-6-5-9(14)7-16-13/h5-8,11,15H,2-4H2,1H3
InChIKeyMBCSYTJMXKGNPB-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.63
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine

1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 65356884) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID65356884
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCNC1CCCc2c1cnn2-c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN4/c1-15-11-3-2-4-12-10(11)8-17-18(12)13-6-5-9(14)7-16-13/h5-8,11,15H,2-4H2,1H3
InChIKeyMBCSYTJMXKGNPB-UHFFFAOYSA-N
XLogP2.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 65356884) is 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine is CNC1CCCc2c1cnn2-c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is MBCSYTJMXKGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-15-11-3-2-4-12-10(11)8-17-18(12)13-6-5-9(14)7-16-13/h5-8,11,15H,2-4H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine?
1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 307.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 65356884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).