4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride

C7H14Cl2N4 — CID 154814267

IUPAC4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride
SMILESCl.Cl.Cn1cnnc1[C@H]1CCCN1
InChIInChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-3-2-4-8-6;;/h5-6,8H,2-4H2,1H3;2*1H/t6-;;/m1../s1
InChIKeyQFSMYZFXRANOOF-QYCVXMPOSA-N
MW225.12 g/mol
LogP1.08
Rot. Bonds1

About 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride

4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride (PubChem CID 154814267) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride.

Molecular Properties

Compound Name4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride
PubChem CID154814267
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride
SMILESCl.Cl.Cn1cnnc1[C@H]1CCCN1
InChIInChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-3-2-4-8-6;;/h5-6,8H,2-4H2,1H3;2*1H/t6-;;/m1../s1
InChIKeyQFSMYZFXRANOOF-QYCVXMPOSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride?
The IUPAC name of 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride (CID 154814267) is 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride.
What is the SMILES notation for 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride?
The canonical SMILES for 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride is Cl.Cl.Cn1cnnc1[C@H]1CCCN1.
What is the InChIKey of 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride?
The InChIKey is QFSMYZFXRANOOF-QYCVXMPOSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-11-5-9-10-7(11)6-3-2-4-8-6;;/h5-6,8H,2-4H2,1H3;2*1H/t6-;;/m1../s1.
What are the key properties of 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride?
4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole;dihydrochloride is sourced from PubChem (CID 154814267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).