azane;3-methyl-1,2-dihydroimidazole

C4H11N3 — CID 174558562

IUPACazane;3-methyl-1,2-dihydroimidazole
SMILESCN1C=CNC1.N
InChIInChI=1S/C4H8N2.H3N/c1-6-3-2-5-4-6;/h2-3,5H,4H2,1H3;1H3
InChIKeyCIHUJCXLQNLFMK-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.11
Rot. Bonds

About azane;3-methyl-1,2-dihydroimidazole

azane;3-methyl-1,2-dihydroimidazole (PubChem CID 174558562) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is azane;3-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Nameazane;3-methyl-1,2-dihydroimidazole
PubChem CID174558562
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Nameazane;3-methyl-1,2-dihydroimidazole
SMILESCN1C=CNC1.N
InChIInChI=1S/C4H8N2.H3N/c1-6-3-2-5-4-6;/h2-3,5H,4H2,1H3;1H3
InChIKeyCIHUJCXLQNLFMK-UHFFFAOYSA-N
XLogP0.11
TPSA50.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;3-methyl-1,2-dihydroimidazole?
The IUPAC name of azane;3-methyl-1,2-dihydroimidazole (CID 174558562) is azane;3-methyl-1,2-dihydroimidazole.
What is the SMILES notation for azane;3-methyl-1,2-dihydroimidazole?
The canonical SMILES for azane;3-methyl-1,2-dihydroimidazole is CN1C=CNC1.N.
What is the InChIKey of azane;3-methyl-1,2-dihydroimidazole?
The InChIKey is CIHUJCXLQNLFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.H3N/c1-6-3-2-5-4-6;/h2-3,5H,4H2,1H3;1H3.
What are the key properties of azane;3-methyl-1,2-dihydroimidazole?
azane;3-methyl-1,2-dihydroimidazole has a molecular weight of 101.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 174558562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).