1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine

C10H12BrN3 — CID 84729187

IUPAC1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine
SMILESCNCc1cccc2c(Br)n(C)nc12
InChIInChI=1S/C10H12BrN3/c1-12-6-7-4-3-5-8-9(7)13-14(2)10(8)11/h3-5,12H,6H2,1-2H3
InChIKeyXHPKHHNXBVYXIN-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.06
Rot. Bonds2

About 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine

1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine (PubChem CID 84729187) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine
PubChem CID84729187
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine
SMILESCNCc1cccc2c(Br)n(C)nc12
InChIInChI=1S/C10H12BrN3/c1-12-6-7-4-3-5-8-9(7)13-14(2)10(8)11/h3-5,12H,6H2,1-2H3
InChIKeyXHPKHHNXBVYXIN-UHFFFAOYSA-N
XLogP2.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-1-methylindazol-7-yl)-N-methylmethanamine
CID 83900931
3-bromo-7-methoxy-2-methylindazole
CID 84728148
3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
3-bromo-2-methyl-7-nitroindazole
CID 12558578
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine
CID 84730122
7-ethyl-2-methylindazole-3-carbonitrile
CID 174309536
1-(8-ethyl-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82447933
1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62446745
N-methyl-1-(2-methylindazol-3-yl)methanamine
CID 84717612
1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine (CID 84729187) is 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine is CNCc1cccc2c(Br)n(C)nc12.
What is the InChIKey of 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine?
The InChIKey is XHPKHHNXBVYXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-12-6-7-4-3-5-8-9(7)13-14(2)10(8)11/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine?
1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine is sourced from PubChem (CID 84729187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).