5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine

C10H11N7O — CID 58528188

IUPAC5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2nnn(Cc3ccco3)n2)[nH]1
InChIInChI=1S/C10H11N7O/c11-10-12-5-7(13-10)4-9-14-16-17(15-9)6-8-2-1-3-18-8/h1-3,5H,4,6H2,(H3,11,12,13)
InChIKeyIDZSRPTYPLYKLX-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.21
Rot. Bonds4

About 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine

5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine (PubChem CID 58528188) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
PubChem CID58528188
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine
SMILESNc1ncc(Cc2nnn(Cc3ccco3)n2)[nH]1
InChIInChI=1S/C10H11N7O/c11-10-12-5-7(13-10)4-9-14-16-17(15-9)6-8-2-1-3-18-8/h1-3,5H,4,6H2,(H3,11,12,13)
InChIKeyIDZSRPTYPLYKLX-UHFFFAOYSA-N
XLogP0.21
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine (CID 58528188) is 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine is Nc1ncc(Cc2nnn(Cc3ccco3)n2)[nH]1.
What is the InChIKey of 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
The InChIKey is IDZSRPTYPLYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c11-10-12-5-7(13-10)4-9-14-16-17(15-9)6-8-2-1-3-18-8/h1-3,5H,4,6H2,(H3,11,12,13).
What are the key properties of 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine?
5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine has a molecular weight of 245.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 58528188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).