1H-imidazol-2-ylmethanamine

C4H7N3 — CID 1382041

IUPAC1H-imidazol-2-ylmethanamine
SMILESNCc1ncc[nH]1
InChIInChI=1S/C4H7N3/c5-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKeyCRZDNISJUXVSKX-UHFFFAOYSA-N
MW97.12 g/mol
LogP-0.13
Rot. Bonds1

About 1H-imidazol-2-ylmethanamine

1H-imidazol-2-ylmethanamine (PubChem CID 1382041) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1H-imidazol-2-ylmethanamine.

Molecular Properties

Compound Name1H-imidazol-2-ylmethanamine
PubChem CID1382041
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1H-imidazol-2-ylmethanamine
SMILESNCc1ncc[nH]1
InChIInChI=1S/C4H7N3/c5-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKeyCRZDNISJUXVSKX-UHFFFAOYSA-N
XLogP-0.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-ylmethanamine?
The IUPAC name of 1H-imidazol-2-ylmethanamine (CID 1382041) is 1H-imidazol-2-ylmethanamine.
What is the SMILES notation for 1H-imidazol-2-ylmethanamine?
The canonical SMILES for 1H-imidazol-2-ylmethanamine is NCc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-ylmethanamine?
The InChIKey is CRZDNISJUXVSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7).
What are the key properties of 1H-imidazol-2-ylmethanamine?
1H-imidazol-2-ylmethanamine has a molecular weight of 97.12 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-ylmethanamine is sourced from PubChem (CID 1382041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).