ethane;5-imidazol-1-yl-N-methylpyridin-2-amine

C13H22N4 — CID 169237763

IUPACethane;5-imidazol-1-yl-N-methylpyridin-2-amine
SMILESCC.CC.CNc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H10N4.2C2H6/c1-10-9-3-2-8(6-12-9)13-5-4-11-7-13;2*1-2/h2-7H,1H3,(H,10,12);2*1-2H3
InChIKeyALSPGUJNWNFZKC-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.36
Rot. Bonds2

About ethane;5-imidazol-1-yl-N-methylpyridin-2-amine

ethane;5-imidazol-1-yl-N-methylpyridin-2-amine (PubChem CID 169237763) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is ethane;5-imidazol-1-yl-N-methylpyridin-2-amine.

Molecular Properties

Compound Nameethane;5-imidazol-1-yl-N-methylpyridin-2-amine
PubChem CID169237763
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Nameethane;5-imidazol-1-yl-N-methylpyridin-2-amine
SMILESCC.CC.CNc1ccc(-n2ccnc2)cn1
InChIInChI=1S/C9H10N4.2C2H6/c1-10-9-3-2-8(6-12-9)13-5-4-11-7-13;2*1-2/h2-7H,1H3,(H,10,12);2*1-2H3
InChIKeyALSPGUJNWNFZKC-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-imidazol-1-yl-N-methylpyridin-2-amine?
The IUPAC name of ethane;5-imidazol-1-yl-N-methylpyridin-2-amine (CID 169237763) is ethane;5-imidazol-1-yl-N-methylpyridin-2-amine.
What is the SMILES notation for ethane;5-imidazol-1-yl-N-methylpyridin-2-amine?
The canonical SMILES for ethane;5-imidazol-1-yl-N-methylpyridin-2-amine is CC.CC.CNc1ccc(-n2ccnc2)cn1.
What is the InChIKey of ethane;5-imidazol-1-yl-N-methylpyridin-2-amine?
The InChIKey is ALSPGUJNWNFZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.2C2H6/c1-10-9-3-2-8(6-12-9)13-5-4-11-7-13;2*1-2/h2-7H,1H3,(H,10,12);2*1-2H3.
What are the key properties of ethane;5-imidazol-1-yl-N-methylpyridin-2-amine?
ethane;5-imidazol-1-yl-N-methylpyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-imidazol-1-yl-N-methylpyridin-2-amine is sourced from PubChem (CID 169237763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).