1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine

C10H12N4 — CID 165473180

IUPAC1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine
SMILESCc1cncc(Cn2cnc(N)c2)c1
InChIInChI=1S/C10H12N4/c1-8-2-9(4-12-3-8)5-14-6-10(11)13-7-14/h2-4,6-7H,5,11H2,1H3
InChIKeyWFEXTBHASVZISG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.22
Rot. Bonds2

About 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine

1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine (PubChem CID 165473180) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine
PubChem CID165473180
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine
SMILESCc1cncc(Cn2cnc(N)c2)c1
InChIInChI=1S/C10H12N4/c1-8-2-9(4-12-3-8)5-14-6-10(11)13-7-14/h2-4,6-7H,5,11H2,1H3
InChIKeyWFEXTBHASVZISG-UHFFFAOYSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.22
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-4-amine?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine (CID 165473180) is 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine is Cc1cncc(Cn2cnc(N)c2)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine?
The InChIKey is WFEXTBHASVZISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8-2-9(4-12-3-8)5-14-6-10(11)13-7-14/h2-4,6-7H,5,11H2,1H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine?
1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine has a molecular weight of 188.23 g/mol, XLogP of 1.22, 2 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-4-amine is sourced from PubChem (CID 165473180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).