[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

C7H9N5O — CID 82668626

IUPAC[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCn1cncc1-c1nnc(CN)o1
InChIInChI=1S/C7H9N5O/c1-12-4-9-3-5(12)7-11-10-6(2-8)13-7/h3-4H,2,8H2,1H3
InChIKeyXXXVBJWYDMCMLI-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.07
Rot. Bonds2

About [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82668626) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82668626
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCn1cncc1-c1nnc(CN)o1
InChIInChI=1S/C7H9N5O/c1-12-4-9-3-5(12)7-11-10-6(2-8)13-7/h3-4H,2,8H2,1H3
InChIKeyXXXVBJWYDMCMLI-UHFFFAOYSA-N
XLogP-0.07
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82668626) is [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is Cn1cncc1-c1nnc(CN)o1.
What is the InChIKey of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is XXXVBJWYDMCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-4-9-3-5(12)7-11-10-6(2-8)13-7/h3-4H,2,8H2,1H3.
What are the key properties of [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 179.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82668626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).