3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride

C6H12Cl2N4 — CID 75485572

IUPAC3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CNC1
InChIInChI=1S/C6H10N4.2ClH/c1-10-4-8-9-6(10)5-2-7-3-5;;/h4-5,7H,2-3H2,1H3;2*1H
InChIKeyNPOSBOGJDAGSFB-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.35
Rot. Bonds1

About 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride

3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride (PubChem CID 75485572) has the molecular formula C6H12Cl2N4 and a molecular weight of 211.10 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride
PubChem CID75485572
Molecular FormulaC6H12Cl2N4
Molecular Weight211.10 g/mol
Exact Mass210.04
IUPAC Name3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride
SMILESCl.Cl.Cn1cnnc1C1CNC1
InChIInChI=1S/C6H10N4.2ClH/c1-10-4-8-9-6(10)5-2-7-3-5;;/h4-5,7H,2-3H2,1H3;2*1H
InChIKeyNPOSBOGJDAGSFB-UHFFFAOYSA-N
XLogP0.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azetidin-3-yl)-4-methyl-4H-1,2,4-triazole
CID 66509943
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
2-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 47000736
2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988341
2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988419
2-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)ethan-1-amine dihydrochloride
CID 53613697
4-methyl-3-(pyrrolidin-3-yl)-4H-1,2,4-triazole dihydrochloride
CID 71298864
2-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine hydrochloride
CID 71755778
2-(4-methyl-4H-1,2,4-triazol-3-yl)propan-1-amine dihydrochloride
CID 75493399
2-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 75493607
3-(azetidin-3-yl)-4-cyclopropyl-4H-1,2,4-triazole
CID 79317110

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride (CID 75485572) is 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride is Cl.Cl.Cn1cnnc1C1CNC1.
What is the InChIKey of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride?
The InChIKey is NPOSBOGJDAGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.2ClH/c1-10-4-8-9-6(10)5-2-7-3-5;;/h4-5,7H,2-3H2,1H3;2*1H.
What are the key properties of 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride?
3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride has a molecular weight of 211.10 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-4-methyl-1,2,4-triazole;dihydrochloride is sourced from PubChem (CID 75485572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).