1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine

C13H18N4O — CID 79182312

IUPAC1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine
SMILESCN1CCOC(Cn2nc(N)c3ccccc32)C1
InChIInChI=1S/C13H18N4O/c1-16-6-7-18-10(8-16)9-17-12-5-3-2-4-11(12)13(14)15-17/h2-5,10H,6-9H2,1H3,(H2,14,15)
InChIKeyXZMALOBSNKKVMB-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.95
Rot. Bonds2

About 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine

1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine (PubChem CID 79182312) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine
PubChem CID79182312
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine
SMILESCN1CCOC(Cn2nc(N)c3ccccc32)C1
InChIInChI=1S/C13H18N4O/c1-16-6-7-18-10(8-16)9-17-12-5-3-2-4-11(12)13(14)15-17/h2-5,10H,6-9H2,1H3,(H2,14,15)
InChIKeyXZMALOBSNKKVMB-UHFFFAOYSA-N
XLogP0.95
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylmorpholin-2-yl)methyl]indol-4-amine
CID 79172400
1-[(4-methylmorpholin-2-yl)methyl]imidazol-4-amine
CID 165465345
N-[[1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methyl]ethanamine
CID 79171525
2-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]aniline
CID 79174624
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
1-butylindazol-3-amine
CID 62686774
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
2-[(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)methyl]-4-methylmorpholine
CID 157041965
(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
CID 166770798
6-amino-3-[(4-methylmorpholin-2-yl)methyl]quinazolin-4-one
CID 79172302
3-[(4-methylmorpholin-2-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 79071254
1-nonylindazol-3-amine
CID 63489930

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine (CID 79182312) is 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine is CN1CCOC(Cn2nc(N)c3ccccc32)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine?
The InChIKey is XZMALOBSNKKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-6-7-18-10(8-16)9-17-12-5-3-2-4-11(12)13(14)15-17/h2-5,10H,6-9H2,1H3,(H2,14,15).
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine?
1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine has a molecular weight of 246.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]indazol-3-amine is sourced from PubChem (CID 79182312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).