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

C11H14N4 — CID 102877958

IUPAC[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
SMILESCc1cncc(Cn2ccnc2CN)c1
InChIInChI=1S/C11H14N4/c1-9-4-10(7-13-6-9)8-15-3-2-14-11(15)5-12/h2-4,6-7H,5,8,12H2,1H3
InChIKeyNRMGIMVPRYQRTE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.09
Rot. Bonds3

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

[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine (PubChem CID 102877958) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
PubChem CID102877958
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
SMILESCc1cncc(Cn2ccnc2CN)c1
InChIInChI=1S/C11H14N4/c1-9-4-10(7-13-6-9)8-15-3-2-14-11(15)5-12/h2-4,6-7H,5,8,12H2,1H3
InChIKeyNRMGIMVPRYQRTE-UHFFFAOYSA-N
XLogP1.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine (CID 102877958) is [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine is Cc1cncc(Cn2ccnc2CN)c1.
What is the InChIKey of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is NRMGIMVPRYQRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-10(7-13-6-9)8-15-3-2-14-11(15)5-12/h2-4,6-7H,5,8,12H2,1H3.
What are the key properties of [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine?
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 102877958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).