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

C10H19N3 — CID 145408254

IUPACethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC.CNc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H13N3.C2H6/c1-9-8-6-4-2-3-5-7(6)10-11-8;1-2/h2-5H2,1H3,(H2,9,10,11);1-2H3
InChIKeyVNPNZSVWXHVITE-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.36
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 145408254) has the molecular formula C10H19N3 and a molecular weight of 181.28 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 CID145408254
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Nameethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
SMILESCC.CNc1n[nH]c2c1CCCC2
InChIInChI=1S/C8H13N3.C2H6/c1-9-8-6-4-2-3-5-7(6)10-11-8;1-2/h2-5H2,1H3,(H2,9,10,11);1-2H3
InChIKeyVNPNZSVWXHVITE-UHFFFAOYSA-N
XLogP2.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 145408254) 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.CNc1n[nH]c2c1CCCC2.
What is the InChIKey of ethane;N-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine?
The InChIKey is VNPNZSVWXHVITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-9-8-6-4-2-3-5-7(6)10-11-8;1-2/h2-5H2,1H3,(H2,9,10,11);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 181.28 g/mol, XLogP of 2.36, 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 145408254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).