N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride

C6H14Cl2N4 — CID 86775402

IUPACN'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.Cn1nccc1NCCN
InChIInChI=1S/C6H12N4.2ClH/c1-10-6(2-4-9-10)8-5-3-7;;/h2,4,8H,3,5,7H2,1H3;2*1H
InChIKeyVCOHZIVHSWEEHX-UHFFFAOYSA-N
MW213.11 g/mol
LogP0.63
Rot. Bonds3

About N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride

N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 86775402) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID86775402
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC NameN'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.Cn1nccc1NCCN
InChIInChI=1S/C6H12N4.2ClH/c1-10-6(2-4-9-10)8-5-3-7;;/h2,4,8H,3,5,7H2,1H3;2*1H
InChIKeyVCOHZIVHSWEEHX-UHFFFAOYSA-N
XLogP0.63
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride 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 N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride (CID 86775402) is N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride is Cl.Cl.Cn1nccc1NCCN.
What is the InChIKey of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is VCOHZIVHSWEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-10-6(2-4-9-10)8-5-3-7;;/h2,4,8H,3,5,7H2,1H3;2*1H.
What are the key properties of N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride?
N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 86775402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).