(3-methylimidazol-4-yl)methanamine

C5H9N3 — CID 2795424

IUPAC(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1CN
InChIInChI=1S/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3
InChIKeyPYAQTQXFMQWCHQ-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.12
Rot. Bonds1

About (3-methylimidazol-4-yl)methanamine

(3-methylimidazol-4-yl)methanamine (PubChem CID 2795424) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)methanamine
PubChem CID2795424
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1CN
InChIInChI=1S/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3
InChIKeyPYAQTQXFMQWCHQ-UHFFFAOYSA-N
XLogP-0.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)methanamine?
The IUPAC name of (3-methylimidazol-4-yl)methanamine (CID 2795424) is (3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (3-methylimidazol-4-yl)methanamine?
The canonical SMILES for (3-methylimidazol-4-yl)methanamine is Cn1cncc1CN.
What is the InChIKey of (3-methylimidazol-4-yl)methanamine?
The InChIKey is PYAQTQXFMQWCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-8-4-7-3-5(8)2-6/h3-4H,2,6H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)methanamine?
(3-methylimidazol-4-yl)methanamine has a molecular weight of 111.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 2795424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).