6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine

C9H12BrN5 — CID 171338514

IUPAC6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine
SMILESCN(N)c1cc2c(cc1Br)c(N)nn2C
InChIInChI=1S/C9H12BrN5/c1-14(12)8-4-7-5(3-6(8)10)9(11)13-15(7)2/h3-4H,12H2,1-2H3,(H2,11,13)
InChIKeyHPQAOUBCDDVJRT-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.23
Rot. Bonds1

About 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine

6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine (PubChem CID 171338514) has the molecular formula C9H12BrN5 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine.

Molecular Properties

Compound Name6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine
PubChem CID171338514
Molecular FormulaC9H12BrN5
Molecular Weight270.13 g/mol
Exact Mass269.03
IUPAC Name6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine
SMILESCN(N)c1cc2c(cc1Br)c(N)nn2C
InChIInChI=1S/C9H12BrN5/c1-14(12)8-4-7-5(3-6(8)10)9(11)13-15(7)2/h3-4H,12H2,1-2H3,(H2,11,13)
InChIKeyHPQAOUBCDDVJRT-UHFFFAOYSA-N
XLogP1.23
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine?
The IUPAC name of 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine (CID 171338514) is 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine.
What is the SMILES notation for 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine?
The canonical SMILES for 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine is CN(N)c1cc2c(cc1Br)c(N)nn2C.
What is the InChIKey of 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine?
The InChIKey is HPQAOUBCDDVJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5/c1-14(12)8-4-7-5(3-6(8)10)9(11)13-15(7)2/h3-4H,12H2,1-2H3,(H2,11,13).
What are the key properties of 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine?
6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine has a molecular weight of 270.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-5-bromo-1-methylindazol-3-amine is sourced from PubChem (CID 171338514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).