2-alumanylpyrazol-3-amine

C3H6AlN3 — CID 148849430

IUPAC2-alumanylpyrazol-3-amine
SMILESNc1ccnn1[AlH2]
InChIInChI=1S/C3H4N3.Al.2H/c4-3-1-2-5-6-3;;;/h1-2H,(H2-,4,5,6);;;/q-1;+1;;
InChIKeyOXDDBYTWZBBSNO-UHFFFAOYSA-N
MW111.08 g/mol
LogP-1.14
Rot. Bonds

About 2-alumanylpyrazol-3-amine

2-alumanylpyrazol-3-amine (PubChem CID 148849430) has the molecular formula C3H6AlN3 and a molecular weight of 111.08 g/mol. Its IUPAC name is 2-alumanylpyrazol-3-amine.

Molecular Properties

Compound Name2-alumanylpyrazol-3-amine
PubChem CID148849430
Molecular FormulaC3H6AlN3
Molecular Weight111.08 g/mol
Exact Mass111.04
IUPAC Name2-alumanylpyrazol-3-amine
SMILESNc1ccnn1[AlH2]
InChIInChI=1S/C3H4N3.Al.2H/c4-3-1-2-5-6-3;;;/h1-2H,(H2-,4,5,6);;;/q-1;+1;;
InChIKeyOXDDBYTWZBBSNO-UHFFFAOYSA-N
XLogP-1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-alumanylpyrazol-3-amine?
The IUPAC name of 2-alumanylpyrazol-3-amine (CID 148849430) is 2-alumanylpyrazol-3-amine.
What is the SMILES notation for 2-alumanylpyrazol-3-amine?
The canonical SMILES for 2-alumanylpyrazol-3-amine is Nc1ccnn1[AlH2].
What is the InChIKey of 2-alumanylpyrazol-3-amine?
The InChIKey is OXDDBYTWZBBSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N3.Al.2H/c4-3-1-2-5-6-3;;;/h1-2H,(H2-,4,5,6);;;/q-1;+1;;.
What are the key properties of 2-alumanylpyrazol-3-amine?
2-alumanylpyrazol-3-amine has a molecular weight of 111.08 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanylpyrazol-3-amine is sourced from PubChem (CID 148849430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).