1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine

C13H16N4O2 — CID 66928933

IUPAC1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine
SMILESCC1(c2cccc(Cn3ccc(N)n3)n2)OCCO1
InChIInChI=1S/C13H16N4O2/c1-13(18-7-8-19-13)11-4-2-3-10(15-11)9-17-6-5-12(14)16-17/h2-6H,7-9H2,1H3,(H2,14,16)
InChIKeyHHMVVIQNHMDAIA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.13
Rot. Bonds3

About 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine

1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine (PubChem CID 66928933) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine
PubChem CID66928933
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine
SMILESCC1(c2cccc(Cn3ccc(N)n3)n2)OCCO1
InChIInChI=1S/C13H16N4O2/c1-13(18-7-8-19-13)11-4-2-3-10(15-11)9-17-6-5-12(14)16-17/h2-6H,7-9H2,1H3,(H2,14,16)
InChIKeyHHMVVIQNHMDAIA-UHFFFAOYSA-N
XLogP1.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
The IUPAC name of 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine (CID 66928933) is 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine is CC1(c2cccc(Cn3ccc(N)n3)n2)OCCO1.
What is the InChIKey of 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
The InChIKey is HHMVVIQNHMDAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(18-7-8-19-13)11-4-2-3-10(15-11)9-17-6-5-12(14)16-17/h2-6H,7-9H2,1H3,(H2,14,16).
What are the key properties of 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine?
1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine has a molecular weight of 260.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methyl-1,3-dioxolan-2-yl)-2-pyridinyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 66928933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).