4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride

C7H14Cl2N4 — CID 71298864

IUPAC4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CCNC1
InChIInChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-2-3-8-4-6;;/h5-6,8H,2-4H2,1H3;2*1H
InChIKeyBWIFZFGGCXONMJ-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.74
Rot. Bonds1

About 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride

4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride (PubChem CID 71298864) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride
PubChem CID71298864
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CCNC1
InChIInChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-2-3-8-4-6;;/h5-6,8H,2-4H2,1H3;2*1H
InChIKeyBWIFZFGGCXONMJ-UHFFFAOYSA-N
XLogP0.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
3-(azetidin-3-yl)-4-methyl-4H-1,2,4-triazole
CID 66509943
3-(pyrrolidin-3-yl)-4H-1,2,4-triazole dihydrochloride
CID 121553640
4-ethyl-3-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65979590
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CID 62694259
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16767398
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride
CID 44118466
4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 46737139
2-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 47000736
3-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988337
4-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988339
2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988341

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride?
The IUPAC name of 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride (CID 71298864) is 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride.
What is the SMILES notation for 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride?
The canonical SMILES for 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride is Cl.Cl.Cn1cnnc1C1CCNC1.
What is the InChIKey of 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride?
The InChIKey is BWIFZFGGCXONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-2-3-8-4-6;;/h5-6,8H,2-4H2,1H3;2*1H.
What are the key properties of 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride?
4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-3-yl-1,2,4-triazole;dihydrochloride is sourced from PubChem (CID 71298864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).