[2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine

C10H12N4 — CID 63108988

IUPAC[2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine
SMILESCc1cccnc1-c1ncc(CN)[nH]1
InChIInChI=1S/C10H12N4/c1-7-3-2-4-12-9(7)10-13-6-8(5-11)14-10/h2-4,6H,5,11H2,1H3,(H,13,14)
InChIKeyPLPKZAAEXSOJQJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.24
Rot. Bonds2

About [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine

[2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine (PubChem CID 63108988) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine
PubChem CID63108988
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name[2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine
SMILESCc1cccnc1-c1ncc(CN)[nH]1
InChIInChI=1S/C10H12N4/c1-7-3-2-4-12-9(7)10-13-6-8(5-11)14-10/h2-4,6H,5,11H2,1H3,(H,13,14)
InChIKeyPLPKZAAEXSOJQJ-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine (CID 63108988) is [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine is Cc1cccnc1-c1ncc(CN)[nH]1.
What is the InChIKey of [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is PLPKZAAEXSOJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-3-2-4-12-9(7)10-13-6-8(5-11)14-10/h2-4,6H,5,11H2,1H3,(H,13,14).
What are the key properties of [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine?
[2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 188.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-2-pyridinyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 63108988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).