2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride

C9H17Cl2N3O — CID 119056955

IUPAC2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CC(N)CCO2)cn1
InChIInChI=1S/C9H15N3O.2ClH/c1-12-6-7(5-11-12)9-4-8(10)2-3-13-9;;/h5-6,8-9H,2-4,10H2,1H3;2*1H
InChIKeyANUFBLFWRCDFSK-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.44
Rot. Bonds1

About 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride

2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride (PubChem CID 119056955) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride
PubChem CID119056955
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CC(N)CCO2)cn1
InChIInChI=1S/C9H15N3O.2ClH/c1-12-6-7(5-11-12)9-4-8(10)2-3-13-9;;/h5-6,8-9H,2-4,10H2,1H3;2*1H
InChIKeyANUFBLFWRCDFSK-UHFFFAOYSA-N
XLogP1.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride (CID 119056955) is 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride is Cl.Cl.Cn1cc(C2CC(N)CCO2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride?
The InChIKey is ANUFBLFWRCDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-12-6-7(5-11-12)9-4-8(10)2-3-13-9;;/h5-6,8-9H,2-4,10H2,1H3;2*1H.
What are the key properties of 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride?
2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxan-4-amine;dihydrochloride is sourced from PubChem (CID 119056955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).