[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride

C10H13ClN4 — CID 131637694

IUPAC[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cn(Cc2ccncc2)cn1
InChIInChI=1S/C10H12N4.ClH/c11-5-10-7-14(8-13-10)6-9-1-3-12-4-2-9;/h1-4,7-8H,5-6,11H2;1H
InChIKeyHLTNEVJTBZQDCE-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.21
Rot. Bonds3

About [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride

[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride (PubChem CID 131637694) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
PubChem CID131637694
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cn(Cc2ccncc2)cn1
InChIInChI=1S/C10H12N4.ClH/c11-5-10-7-14(8-13-10)6-9-1-3-12-4-2-9;/h1-4,7-8H,5-6,11H2;1H
InChIKeyHLTNEVJTBZQDCE-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride (CID 131637694) is [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride is Cl.NCc1cn(Cc2ccncc2)cn1.
What is the InChIKey of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride?
The InChIKey is HLTNEVJTBZQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c11-5-10-7-14(8-13-10)6-9-1-3-12-4-2-9;/h1-4,7-8H,5-6,11H2;1H.
What are the key properties of [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride?
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 131637694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).