2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride

C7H14Cl2N4O — CID 126797044

IUPAC2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(C2OCCC2N)nn1
InChIInChI=1S/C7H12N4O.2ClH/c1-11-4-6(9-10-11)7-5(8)2-3-12-7;;/h4-5,7H,2-3,8H2,1H3;2*1H
InChIKeyLMRGLOFDVNBBJL-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.45
Rot. Bonds1

About 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride

2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride (PubChem CID 126797044) has the molecular formula C7H14Cl2N4O and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride
PubChem CID126797044
Molecular FormulaC7H14Cl2N4O
Molecular Weight241.12 g/mol
Exact Mass240.05
IUPAC Name2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(C2OCCC2N)nn1
InChIInChI=1S/C7H12N4O.2ClH/c1-11-4-6(9-10-11)7-5(8)2-3-12-7;;/h4-5,7H,2-3,8H2,1H3;2*1H
InChIKeyLMRGLOFDVNBBJL-UHFFFAOYSA-N
XLogP0.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride?
The IUPAC name of 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride (CID 126797044) is 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride?
The canonical SMILES for 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride is Cl.Cl.Cn1cc(C2OCCC2N)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride?
The InChIKey is LMRGLOFDVNBBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2ClH/c1-11-4-6(9-10-11)7-5(8)2-3-12-7;;/h4-5,7H,2-3,8H2,1H3;2*1H.
What are the key properties of 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride?
2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 126797044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).