1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C10H17N3O2 — CID 61023286

IUPAC1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCC1COCCO1
InChIInChI=1S/C10H17N3O2/c1-8-9(5-12-13-8)4-11-6-10-7-14-2-3-15-10/h5,10-11H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyIIRDAJITNPMJHD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.22
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 61023286) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID61023286
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCC1COCCO1
InChIInChI=1S/C10H17N3O2/c1-8-9(5-12-13-8)4-11-6-10-7-14-2-3-15-10/h5,10-11H,2-4,6-7H2,1H3,(H,12,13)
InChIKeyIIRDAJITNPMJHD-UHFFFAOYSA-N
XLogP0.22
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 61023286) is 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNCC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is IIRDAJITNPMJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-9(5-12-13-8)4-11-6-10-7-14-2-3-15-10/h5,10-11H,2-4,6-7H2,1H3,(H,12,13).
What are the key properties of 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61023286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).