(2-methyl-1H-imidazol-5-yl)methanamine

C5H9N3 — CID 59481378

IUPAC(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CN)[nH]1
InChIInChI=1S/C5H9N3/c1-4-7-3-5(2-6)8-4/h3H,2,6H2,1H3,(H,7,8)
InChIKeyCVGDNOXAJIGIFQ-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.18
Rot. Bonds1

About (2-methyl-1H-imidazol-5-yl)methanamine

(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 59481378) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID59481378
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CN)[nH]1
InChIInChI=1S/C5H9N3/c1-4-7-3-5(2-6)8-4/h3H,2,6H2,1H3,(H,7,8)
InChIKeyCVGDNOXAJIGIFQ-UHFFFAOYSA-N
XLogP0.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (2-methyl-1H-imidazol-5-yl)methanamine (CID 59481378) is (2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl)methanamine is Cc1ncc(CN)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is CVGDNOXAJIGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-7-3-5(2-6)8-4/h3H,2,6H2,1H3,(H,7,8).
What are the key properties of (2-methyl-1H-imidazol-5-yl)methanamine?
(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 111.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 59481378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).