ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

C12H25N3 — CID 145408226

IUPACethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC.CC.CNc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H13N3.2C2H6/c1-9-8-6-4-2-3-5-7(6)10-11-8;2*1-2/h2-5H2,1H3,(H2,9,10,11);2*1-2H3
InChIKeyNOMYYTZIZLBRIT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds1

About ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine

ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (PubChem CID 145408226) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.

Molecular Properties

Compound Nameethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
PubChem CID145408226
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC.CC.CNc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H13N3.2C2H6/c1-9-8-6-4-2-3-5-7(6)10-11-8;2*1-2/h2-5H2,1H3,(H2,9,10,11);2*1-2H3
InChIKeyNOMYYTZIZLBRIT-UHFFFAOYSA-N
XLogP3.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The IUPAC name of ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine (CID 145408226) is ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine.
What is the SMILES notation for ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The canonical SMILES for ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is CC.CC.CNc1n[nH]c2c1CCCC2.
What is the InChIKey of ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is NOMYYTZIZLBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2C2H6/c1-9-8-6-4-2-3-5-7(6)10-11-8;2*1-2/h2-5H2,1H3,(H2,9,10,11);2*1-2H3.
What are the key properties of ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine has a molecular weight of 211.35 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine is sourced from PubChem (CID 145408226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).