5-cyclopropyl-1H-imidazol-2-amine

C6H9N3 — CID 53406518

IUPAC5-cyclopropyl-1H-imidazol-2-amine
SMILESNc1ncc(C2CC2)[nH]1
InChIInChI=1S/C6H9N3/c7-6-8-3-5(9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
InChIKeyLHDVWRMWQJIACV-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.87
Rot. Bonds1

About 5-cyclopropyl-1H-imidazol-2-amine

5-cyclopropyl-1H-imidazol-2-amine (PubChem CID 53406518) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 5-cyclopropyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-1H-imidazol-2-amine
PubChem CID53406518
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name5-cyclopropyl-1H-imidazol-2-amine
SMILESNc1ncc(C2CC2)[nH]1
InChIInChI=1S/C6H9N3/c7-6-8-3-5(9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9)
InChIKeyLHDVWRMWQJIACV-UHFFFAOYSA-N
XLogP0.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-imidazol-2-amine?
The IUPAC name of 5-cyclopropyl-1H-imidazol-2-amine (CID 53406518) is 5-cyclopropyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-1H-imidazol-2-amine?
The canonical SMILES for 5-cyclopropyl-1H-imidazol-2-amine is Nc1ncc(C2CC2)[nH]1.
What is the InChIKey of 5-cyclopropyl-1H-imidazol-2-amine?
The InChIKey is LHDVWRMWQJIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-6-8-3-5(9-6)4-1-2-4/h3-4H,1-2H2,(H3,7,8,9).
What are the key properties of 5-cyclopropyl-1H-imidazol-2-amine?
5-cyclopropyl-1H-imidazol-2-amine has a molecular weight of 123.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-imidazol-2-amine is sourced from PubChem (CID 53406518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).