lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate

C13H17LiN4O2 — CID 69188189

IUPAClithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
SMILESCN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.[Li+]
InChIInChI=1S/C13H18N4O2.Li/c1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12;/h4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19);/q;+1/p-1
InChIKeySYCBSNCUSDVIHN-UHFFFAOYSA-M
MW268.25 g/mol
LogP-3.07
Rot. Bonds5

About lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate

lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate (PubChem CID 69188189) has the molecular formula C13H17LiN4O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namelithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
PubChem CID69188189
Molecular FormulaC13H17LiN4O2
Molecular Weight268.25 g/mol
Exact Mass268.15
IUPAC Namelithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate
SMILESCN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.[Li+]
InChIInChI=1S/C13H18N4O2.Li/c1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12;/h4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19);/q;+1/p-1
InChIKeySYCBSNCUSDVIHN-UHFFFAOYSA-M
XLogP-3.07
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate 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 lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
The IUPAC name of lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate (CID 69188189) is lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate.
What is the SMILES notation for lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
The canonical SMILES for lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate is CN(C)CCN(C)c1n[nH]c2cc(C(=O)[O-])ccc12.[Li+].
What is the InChIKey of lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
The InChIKey is SYCBSNCUSDVIHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18N4O2.Li/c1-16(2)6-7-17(3)12-10-5-4-9(13(18)19)8-11(10)14-15-12;/h4-5,8H,6-7H2,1-3H3,(H,14,15)(H,18,19);/q;+1/p-1.
What are the key properties of lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate?
lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate has a molecular weight of 268.25 g/mol, XLogP of -3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate is sourced from PubChem (CID 69188189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).