5-(aminomethyl)-1-methylindazol-6-amine

C9H12N4 — CID 117109473

IUPAC5-(aminomethyl)-1-methylindazol-6-amine
SMILESCn1ncc2cc(CN)c(N)cc21
InChIInChI=1S/C9H12N4/c1-13-9-3-8(11)6(4-10)2-7(9)5-12-13/h2-3,5H,4,10-11H2,1H3
InChIKeyRHGJMLJILGNVRA-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.61
Rot. Bonds1

About 5-(aminomethyl)-1-methylindazol-6-amine

5-(aminomethyl)-1-methylindazol-6-amine (PubChem CID 117109473) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methylindazol-6-amine.

Molecular Properties

Compound Name5-(aminomethyl)-1-methylindazol-6-amine
PubChem CID117109473
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-(aminomethyl)-1-methylindazol-6-amine
SMILESCn1ncc2cc(CN)c(N)cc21
InChIInChI=1S/C9H12N4/c1-13-9-3-8(11)6(4-10)2-7(9)5-12-13/h2-3,5H,4,10-11H2,1H3
InChIKeyRHGJMLJILGNVRA-UHFFFAOYSA-N
XLogP0.61
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1-methylpyrazolo[4,5-c]pyridin-6-yl)methanamine
CID 82596319
5,6-difluoro-1-methylindazole
CID 159529872
2-(5-methoxy-1-methylindazol-6-yl)ethanamine
CID 135381626
6-ethyl-1,5-dimethylindazole
CID 176934565
6-ethyl-5-fluoro-1-methylindazole
CID 89250991
1,5-dimethylindazol-6-ol
CID 137082746
5-chloro-1,6-dimethylindazole
CID 84657674
(4-chloro-1-methylindazol-5-yl)methanamine
CID 82505519
1,6-dimethyl-5-propan-2-ylindazole
CID 58371579
methanamine;S-(1-methylindazol-5-yl)thiohydroxylamine
CID 142522707
(5-methoxy-1-methylpyrazol-4-yl)methanamine
CID 82594286
1,5-dimethylindazole;ethane
CID 90788862

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methylindazol-6-amine?
The IUPAC name of 5-(aminomethyl)-1-methylindazol-6-amine (CID 117109473) is 5-(aminomethyl)-1-methylindazol-6-amine.
What is the SMILES notation for 5-(aminomethyl)-1-methylindazol-6-amine?
The canonical SMILES for 5-(aminomethyl)-1-methylindazol-6-amine is Cn1ncc2cc(CN)c(N)cc21.
What is the InChIKey of 5-(aminomethyl)-1-methylindazol-6-amine?
The InChIKey is RHGJMLJILGNVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-9-3-8(11)6(4-10)2-7(9)5-12-13/h2-3,5H,4,10-11H2,1H3.
What are the key properties of 5-(aminomethyl)-1-methylindazol-6-amine?
5-(aminomethyl)-1-methylindazol-6-amine has a molecular weight of 176.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methylindazol-6-amine is sourced from PubChem (CID 117109473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).