(1-methyl-3-propoxyindazol-6-yl)methanamine

C12H17N3O — CID 112757825

IUPAC(1-methyl-3-propoxyindazol-6-yl)methanamine
SMILESCCCOc1nn(C)c2cc(CN)ccc12
InChIInChI=1S/C12H17N3O/c1-3-6-16-12-10-5-4-9(8-13)7-11(10)15(2)14-12/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyXJCQJXTXQDEBLW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.82
Rot. Bonds4

About (1-methyl-3-propoxyindazol-6-yl)methanamine

(1-methyl-3-propoxyindazol-6-yl)methanamine (PubChem CID 112757825) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (1-methyl-3-propoxyindazol-6-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3-propoxyindazol-6-yl)methanamine
PubChem CID112757825
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(1-methyl-3-propoxyindazol-6-yl)methanamine
SMILESCCCOc1nn(C)c2cc(CN)ccc12
InChIInChI=1S/C12H17N3O/c1-3-6-16-12-10-5-4-9(8-13)7-11(10)15(2)14-12/h4-5,7H,3,6,8,13H2,1-2H3
InChIKeyXJCQJXTXQDEBLW-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-1-methylindazol-6-yl)methanamine
CID 105453741
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637
2-(5-chloro-1-methylindazol-3-yl)oxyethanamine
CID 84690166
6-ethyl-1-methylindazol-3-amine
CID 67124935
1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
CID 112757846
2-(1-methyl-3-propoxyindazol-5-yl)sulfanylacetic acid
CID 112757871
(3-chloro-1-methylindazol-5-yl)methanamine
CID 83446741
5-(aminomethyl)-1-methylindazole-3-carboxylic acid
CID 84778324
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
1-methyl-3-propoxypyrazol-4-amine;hydrochloride
CID 102565575
[2-methyl-3-(trifluoromethyl)indazol-6-yl]methanamine
CID 105486263
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propoxyindazol-6-yl)methanamine?
The IUPAC name of (1-methyl-3-propoxyindazol-6-yl)methanamine (CID 112757825) is (1-methyl-3-propoxyindazol-6-yl)methanamine.
What is the SMILES notation for (1-methyl-3-propoxyindazol-6-yl)methanamine?
The canonical SMILES for (1-methyl-3-propoxyindazol-6-yl)methanamine is CCCOc1nn(C)c2cc(CN)ccc12.
What is the InChIKey of (1-methyl-3-propoxyindazol-6-yl)methanamine?
The InChIKey is XJCQJXTXQDEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-6-16-12-10-5-4-9(8-13)7-11(10)15(2)14-12/h4-5,7H,3,6,8,13H2,1-2H3.
What are the key properties of (1-methyl-3-propoxyindazol-6-yl)methanamine?
(1-methyl-3-propoxyindazol-6-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propoxyindazol-6-yl)methanamine is sourced from PubChem (CID 112757825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).